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

C10H15N3OS — CID 136778340

IUPAC4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCC(Nc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H15N3OS/c1-15-8-3-2-7(4-8)13-9-5-10(14)12-6-11-9/h5-8H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyLLNPQOOTSOOKDM-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.47
Rot. Bonds3

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

4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (PubChem CID 136778340) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
PubChem CID136778340
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one
SMILESCSC1CCC(Nc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C10H15N3OS/c1-15-8-3-2-7(4-8)13-9-5-10(14)12-6-11-9/h5-8H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyLLNPQOOTSOOKDM-UHFFFAOYSA-N
XLogP1.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
CID 64611143
2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
CID 64722860
2-[3-(propylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
CID 64722862
2-[3-(ethylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
CID 64723062
6-(Cyclopentylamino)-3-methyl-3,4-dihydropyrimidin-4-one
CID 134160401
4-methyl-2-[3-(methylamino)cyclopentyl]sulfanyl-1H-pyrimidin-6-one
CID 136263036
4-(6-methylsulfanylhexylamino)-1H-pyrimidin-6-one
CID 136723623
4-(thiolan-3-ylamino)-1H-pyrimidin-6-one
CID 136726596
4-[(3-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136730582
4-[(1-methylsulfanylcyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136762598
4-[(1-methylsulfanylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136762607
4-[(2-methylsulfanylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136778316

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one (CID 136778340) is 4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is CSC1CCC(Nc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LLNPQOOTSOOKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-15-8-3-2-7(4-8)13-9-5-10(14)12-6-11-9/h5-8H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one?
4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one has a molecular weight of 225.32 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylsulfanylcyclopentyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136778340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).