N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

C13H19N3O3S — CID 62517553

IUPACN-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC1(CO)CCCC1
InChIInChI=1S/C13H19N3O3S/c1-8-9(11(20-2)15-12(19)14-8)10(18)16-13(7-17)5-3-4-6-13/h17H,3-7H2,1-2H3,(H,16,18)(H,14,15,19)
InChIKeyJUYXJXQSYHXFLG-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.84
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 62517553) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
PubChem CID62517553
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1nc(=O)[nH]c(C)c1C(=O)NC1(CO)CCCC1
InChIInChI=1S/C13H19N3O3S/c1-8-9(11(20-2)15-12(19)14-8)10(18)16-13(7-17)5-3-4-6-13/h17H,3-7H2,1-2H3,(H,16,18)(H,14,15,19)
InChIKeyJUYXJXQSYHXFLG-UHFFFAOYSA-N
XLogP0.84
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 65037506
2-hydroxy-2-methyl-3-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 66172177
N-[(4-hydroxyoxan-4-yl)methyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 79490169
6-methyl-N-[(3-methyloxetan-3-yl)methyl]-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 79487205
2-[(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812471
N-cyclopentyloxy-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 83217255
N-(2-hydroxy-3-methylbutyl)-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide
CID 115746127
N-[1-(hydroxymethyl)cyclohexyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 62521639
6-methyl-4-methylsulfanyl-2-oxo-N-(1H-pyrazol-4-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 54897359
2-[1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)azetidin-3-yl]acetic acid
CID 64603185
(2S)-1-(6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 66264823
4-ethyl-N-[1-(hydroxymethyl)cyclobutyl]thiadiazole-5-carboxamide
CID 115878220

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide (CID 62517553) is N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is CSc1nc(=O)[nH]c(C)c1C(=O)NC1(CO)CCCC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is JUYXJXQSYHXFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-8-9(11(20-2)15-12(19)14-8)10(18)16-13(7-17)5-3-4-6-13/h17H,3-7H2,1-2H3,(H,16,18)(H,14,15,19).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-6-methyl-4-methylsulfanyl-2-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 62517553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).