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

C14H19N3OS — CID 118719994

IUPAC2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(C)csc2c1=O
InChIInChI=1S/C14H19N3OS/c1-3-17-13(18)12-11(9(2)8-19-12)16-14(17)15-10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyLMOGUWWUZTYNSW-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.14
Rot. Bonds3

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

2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118719994) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one
PubChem CID118719994
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CCCC2)nc2c(C)csc2c1=O
InChIInChI=1S/C14H19N3OS/c1-3-17-13(18)12-11(9(2)8-19-12)16-14(17)15-10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,15,16)
InChIKeyLMOGUWWUZTYNSW-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.14
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-methylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one (CID 118719994) is 2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CCCC2)nc2c(C)csc2c1=O.
What is the InChIKey of 2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is LMOGUWWUZTYNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-3-17-13(18)12-11(9(2)8-19-12)16-14(17)15-10-6-4-5-7-10/h8,10H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one?
2-(cyclopentylamino)-3-ethyl-7-methylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 277.39 g/mol, XLogP of 3.14, 3 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-methylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118719994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).