2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one

C19H21N3OS — CID 118720002

IUPAC2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(-c3ccccc3)csc2c1=O
InChIInChI=1S/C19H21N3OS/c1-2-22-18(23)17-16(21-19(22)20-14-10-6-7-11-14)15(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21)
InChIKeyAIOOOOYCTWPHCO-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.50
Rot. Bonds4

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

2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118720002) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one
PubChem CID118720002
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(-c3ccccc3)csc2c1=O
InChIInChI=1S/C19H21N3OS/c1-2-22-18(23)17-16(21-19(22)20-14-10-6-7-11-14)15(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21)
InChIKeyAIOOOOYCTWPHCO-UHFFFAOYSA-N
XLogP4.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one (CID 118720002) is 2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCCC2)nc2c(-c3ccccc3)csc2c1=O.
What is the InChIKey of 2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is AIOOOOYCTWPHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-22-18(23)17-16(21-19(22)20-14-10-6-7-11-14)15(12-24-17)13-8-4-3-5-9-13/h3-5,8-9,12,14H,2,6-7,10-11H2,1H3,(H,20,21).
What are the key properties of 2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 339.46 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-ethyl-7-phenylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118720002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).