2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile

C14H16N4OS — CID 118719997

IUPAC2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
SMILESCCn1c(NC2CCCC2)nc2c(C#N)csc2c1=O
InChIInChI=1S/C14H16N4OS/c1-2-18-13(19)12-11(9(7-15)8-20-12)17-14(18)16-10-5-3-4-6-10/h8,10H,2-6H2,1H3,(H,16,17)
InChIKeyXLWDUUKNFLELBF-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.70
Rot. Bonds3

About 2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile

2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 118719997) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

Compound Name2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
PubChem CID118719997
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile
SMILESCCn1c(NC2CCCC2)nc2c(C#N)csc2c1=O
InChIInChI=1S/C14H16N4OS/c1-2-18-13(19)12-11(9(7-15)8-20-12)17-14(18)16-10-5-3-4-6-10/h8,10H,2-6H2,1H3,(H,16,17)
InChIKeyXLWDUUKNFLELBF-UHFFFAOYSA-N
XLogP2.70
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.70
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-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile?
The IUPAC name of 2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile (CID 118719997) is 2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile.
What is the SMILES notation for 2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile?
The canonical SMILES for 2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile is CCn1c(NC2CCCC2)nc2c(C#N)csc2c1=O.
What is the InChIKey of 2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile?
The InChIKey is XLWDUUKNFLELBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-2-18-13(19)12-11(9(7-15)8-20-12)17-14(18)16-10-5-3-4-6-10/h8,10H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile?
2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 288.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-3-ethyl-4-oxothieno[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 118719997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).