2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one

C20H24N4OS — CID 118720000

IUPAC2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(CCc3cccnc3)csc2c1=O
InChIInChI=1S/C20H24N4OS/c1-2-24-19(25)18-17(23-20(24)22-16-7-3-4-8-16)15(13-26-18)10-9-14-6-5-11-21-12-14/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,22,23)
InChIKeyZSZDRDPNZAUSIP-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.01
Rot. Bonds6

About 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one

2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 118720000) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID118720000
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(CCc3cccnc3)csc2c1=O
InChIInChI=1S/C20H24N4OS/c1-2-24-19(25)18-17(23-20(24)22-16-7-3-4-8-16)15(13-26-18)10-9-14-6-5-11-21-12-14/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,22,23)
InChIKeyZSZDRDPNZAUSIP-UHFFFAOYSA-N
XLogP4.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one (CID 118720000) is 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCCC2)nc2c(CCc3cccnc3)csc2c1=O.
What is the InChIKey of 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is ZSZDRDPNZAUSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-2-24-19(25)18-17(23-20(24)22-16-7-3-4-8-16)15(13-26-18)10-9-14-6-5-11-21-12-14/h5-6,11-13,16H,2-4,7-10H2,1H3,(H,22,23).
What are the key properties of 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 368.51 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-ethyl-7-(2-pyridin-3-ylethyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118720000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).