2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

C12H19N3OS — CID 136778341

IUPAC2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCC(SC)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3OS/c1-3-10-14-11(7-12(16)15-10)13-8-4-5-9(6-8)17-2/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyHUGDBRCLIQNWEK-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.03
Rot. Bonds4

About 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one

2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136778341) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136778341
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCCc1nc(NC2CCC(SC)C2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3OS/c1-3-10-14-11(7-12(16)15-10)13-8-4-5-9(6-8)17-2/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16)
InChIKeyHUGDBRCLIQNWEK-UHFFFAOYSA-N
XLogP2.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(cyclopent-3-en-1-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136977072
2-methyl-4-[(4-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778318
2-ethyl-4-[(1-ethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974521
2-ethyl-4-[(1-propylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136974971
6-N-ethyl-2-methyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124181
4-[(2-aminocyclohexyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136977664
2-ethyl-4-[(2-propan-2-ylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136976602
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
2-ethyl-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136977181
2-cyclopropyl-4-N-(3-methylsulfanylcyclopentyl)pyrimidine-4,6-diamine
CID 114124123
6-chloro-2-cyclopropyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103880252

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (CID 136778341) is 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is CCc1nc(NC2CCC(SC)C2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is HUGDBRCLIQNWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-10-14-11(7-12(16)15-10)13-8-4-5-9(6-8)17-2/h7-9H,3-6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 253.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).