2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one

C15H19N3OS — CID 155807006

IUPAC2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCCC2)nc2c3c(sc12)CCCC3
InChIInChI=1S/C15H19N3OS/c19-14-13-12(10-7-3-4-8-11(10)20-13)17-15(18-14)16-9-5-1-2-6-9/h9H,1-8H2,(H2,16,17,18,19)
InChIKeyPRJDVGAJXQVETR-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.22
Rot. Bonds2

About 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one

2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one (PubChem CID 155807006) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
PubChem CID155807006
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCCC2)nc2c3c(sc12)CCCC3
InChIInChI=1S/C15H19N3OS/c19-14-13-12(10-7-3-4-8-11(10)20-13)17-15(18-14)16-9-5-1-2-6-9/h9H,1-8H2,(H2,16,17,18,19)
InChIKeyPRJDVGAJXQVETR-UHFFFAOYSA-N
XLogP3.22
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 155810093
2-(cyclohexylamino)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136965762
5-cyclopentyl-2-(cyclopropylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 112569360
2-cyclohexyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 18524194
N-cycloheptyl-3-(3-oxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-5-yl)propanamide
CID 20930439
2-chloro-N-cyclohexyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 90287286
(2R)-N-cyclopentyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]propanamide
CID 7240595
6-(cyclopentylamino)-1H-1,3,5-triazine-2,4-dithione
CID 54184838
4-chloro-2-(cyclopropylamino)-5-iodo-1H-pyrimidin-6-one
CID 136743763
6-amino-2-(cycloheptylamino)-3H-quinazolin-4-one
CID 136808657
6-(cycloheptylamino)-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135993684
N-cyclohexyl-3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide
CID 8713363

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one (CID 155807006) is 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one is O=c1[nH]c(NC2CCCC2)nc2c3c(sc12)CCCC3.
What is the InChIKey of 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one?
The InChIKey is PRJDVGAJXQVETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-14-13-12(10-7-3-4-8-11(10)20-13)17-15(18-14)16-9-5-1-2-6-9/h9H,1-8H2,(H2,16,17,18,19).
What are the key properties of 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one has a molecular weight of 289.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-6,7,8,9-tetrahydro-3H-[1]benzothiolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 155807006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).