4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide

C12H18N4O4S — CID 70981402

IUPAC4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide
SMILESCS(=O)(=O)c1ncc(C(N)=O)c(NC2CCCC2CO)n1
InChIInChI=1S/C12H18N4O4S/c1-21(19,20)12-14-5-8(10(13)18)11(16-12)15-9-4-2-3-7(9)6-17/h5,7,9,17H,2-4,6H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyUCRQPSAVRXJTHQ-UHFFFAOYSA-N
MW314.37 g/mol
LogP-0.45
Rot. Bonds5

About 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide

4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide (PubChem CID 70981402) has the molecular formula C12H18N4O4S and a molecular weight of 314.37 g/mol. Its IUPAC name is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide
PubChem CID70981402
Molecular FormulaC12H18N4O4S
Molecular Weight314.37 g/mol
Exact Mass314.10
IUPAC Name4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide
SMILESCS(=O)(=O)c1ncc(C(N)=O)c(NC2CCCC2CO)n1
InChIInChI=1S/C12H18N4O4S/c1-21(19,20)12-14-5-8(10(13)18)11(16-12)15-9-4-2-3-7(9)6-17/h5,7,9,17H,2-4,6H2,1H3,(H2,13,18)(H,14,15,16)
InChIKeyUCRQPSAVRXJTHQ-UHFFFAOYSA-N
XLogP-0.45
TPSA135.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-(tert-butylamino)-4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]pyrimidine-5-carboxamide
CID 71237164
5-fluoro-2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114178774
2-[[2-(hydroxymethyl)cyclopentyl]amino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 106364840
[5-carbamoyl-4-[[(1S,2S)-2-hydroxycyclopentyl]amino]pyrimidin-2-yl]methanesulfinic acid
CID 138692577
[2-[(2-amino-5-methylpyrimidin-4-yl)amino]cyclohexyl]methanol
CID 106368178
[2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]cyclopentyl]methanol
CID 114178800
2-[[2-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 106361785
6-[[2-(hydroxymethyl)cyclohexyl]amino]-N,N-dimethylpyridine-3-sulfonamide
CID 106362373
4-[[(1R,2R)-2-hydroxycyclopentyl]amino]-2-[(4-methoxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 71237054
[2-[(5-amino-2-chloropyrimidin-4-yl)amino]cyclohexyl]methanol
CID 114178433
[2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]cyclopentyl]methanol
CID 106368118
tert-butyl N-[(1R,2S)-2-[[5-carbamoyl-4-(3-iodoanilino)pyrimidin-2-yl]amino]cyclohexyl]carbamate;cis-(1S,2R)-cyclohexane-1,2-diamine;4-(3-iodoanilino)-2-methylsulfonylpyrimidine-5-carboxamide
CID 161158413

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide?
The IUPAC name of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide (CID 70981402) is 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide?
The canonical SMILES for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide is CS(=O)(=O)c1ncc(C(N)=O)c(NC2CCCC2CO)n1.
What is the InChIKey of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide?
The InChIKey is UCRQPSAVRXJTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4S/c1-21(19,20)12-14-5-8(10(13)18)11(16-12)15-9-4-2-3-7(9)6-17/h5,7,9,17H,2-4,6H2,1H3,(H2,13,18)(H,14,15,16).
What are the key properties of 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide?
4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide has a molecular weight of 314.37 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(hydroxymethyl)cyclopentyl]amino]-2-methylsulfonylpyrimidine-5-carboxamide is sourced from PubChem (CID 70981402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).