2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one

C11H13N3OS — CID 118729739

IUPAC2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CC2)nc2ccsc2c1=O
InChIInChI=1S/C11H13N3OS/c1-2-14-10(15)9-8(5-6-16-9)13-11(14)12-7-3-4-7/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyQIDBHCSCFZORMZ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.05
Rot. Bonds3

About 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one

2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (PubChem CID 118729739) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
PubChem CID118729739
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(NC2CC2)nc2ccsc2c1=O
InChIInChI=1S/C11H13N3OS/c1-2-14-10(15)9-8(5-6-16-9)13-11(14)12-7-3-4-7/h5-7H,2-4H2,1H3,(H,12,13)
InChIKeyQIDBHCSCFZORMZ-UHFFFAOYSA-N
XLogP2.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one (CID 118729739) is 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is CCn1c(NC2CC2)nc2ccsc2c1=O.
What is the InChIKey of 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
The InChIKey is QIDBHCSCFZORMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-14-10(15)9-8(5-6-16-9)13-11(14)12-7-3-4-7/h5-7H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one?
2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one has a molecular weight of 235.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-ethylthieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 118729739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).