2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

C16H16N4OS — CID 135630026

IUPAC2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCCC2)nc2nccc(-c3cccs3)c12
InChIInChI=1S/C16H16N4OS/c21-15-13-11(12-6-3-9-22-12)7-8-17-14(13)19-16(20-15)18-10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H2,17,18,19,20,21)
InChIKeyUWXDRMMFAMAEJD-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.40
Rot. Bonds3

About 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one

2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135630026) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135630026
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(NC2CCCC2)nc2nccc(-c3cccs3)c12
InChIInChI=1S/C16H16N4OS/c21-15-13-11(12-6-3-9-22-12)7-8-17-14(13)19-16(20-15)18-10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H2,17,18,19,20,21)
InChIKeyUWXDRMMFAMAEJD-UHFFFAOYSA-N
XLogP3.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135630026) is 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(NC2CCCC2)nc2nccc(-c3cccs3)c12.
What is the InChIKey of 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is UWXDRMMFAMAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-15-13-11(12-6-3-9-22-12)7-8-17-14(13)19-16(20-15)18-10-4-1-2-5-10/h3,6-10H,1-2,4-5H2,(H2,17,18,19,20,21).
What are the key properties of 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 312.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-5-thiophen-2-yl-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135630026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).