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3-[(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]propanenitrile

3-[(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]propanenitrile structure

CAS No:
121330-13-0
Formula:
C13H18N4O3
Chemical Name:
3-[(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]propanenitrile
Synonyms:
N-(Cyanoethyl)-cis-4-(thymin-1-yl)-D-prolinol;1-Pyrrolidinepropanenitrile, 4-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)-2-(hydroxymethyl)-, (2R-cis)-;121330-13-0;DTXSID70153234;3-[(1S,2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pyrrolidin-1-yl]propanenitrile

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3-[(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]propanenitrile Basic Attributes

Molecular Weight：

278.31 g/mol

Exact Mass：

278.13789045 g/mol

DSSTox ID：

DTXSID70153234

Characteristics

PSA：

96.7 Å²

Computed Properties

Molecular Weight:278.31
XLogP3:-1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:278.13789045
Monoisotopic Mass:278.13789045
Topological Polar Surface Area:96.7
Heavy Atom Count:20
Complexity:493
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(2R,4R)-2-(hydroxymethyl)-4-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]propanenitrile

Basic Attributes
Characteristics
Computed Properties

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