2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one

C15H21N3OS — CID 118719991

IUPAC2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one
SMILESCCc1cc2nc(NC3CCCC3)n(CC)c(=O)c2s1
InChIInChI=1S/C15H21N3OS/c1-3-11-9-12-13(20-11)14(19)18(4-2)15(17-12)16-10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyJOCPKGYJWNYMQC-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.39
Rot. Bonds4

About 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one

2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118719991) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one
PubChem CID118719991
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one
SMILESCCc1cc2nc(NC3CCCC3)n(CC)c(=O)c2s1
InChIInChI=1S/C15H21N3OS/c1-3-11-9-12-13(20-11)14(19)18(4-2)15(17-12)16-10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H,16,17)
InChIKeyJOCPKGYJWNYMQC-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 86280445
CID 86280445
CID 135400705
CID 135400705
CID 46942401
CID 46942401
CID 49792609
CID 49792609
CID 118719985
CID 118719985
CID 118719988
CID 118719988
CID 118719989
CID 118719989
CID 118719994
CID 118719994
CID 118719995
CID 118719995
CID 118720002
CID 118720002
CID 118724077
CID 118724077
CID 118724083
CID 118724083

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one (CID 118719991) is 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one is CCc1cc2nc(NC3CCCC3)n(CC)c(=O)c2s1.
What is the InChIKey of 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is JOCPKGYJWNYMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-3-11-9-12-13(20-11)14(19)18(4-2)15(17-12)16-10-7-5-6-8-10/h9-10H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 291.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3,6-diethylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118719991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).