4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine

C11H8ClN3S — CID 89245171

IUPAC4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESClc1nc(-c2ccncc2)nc2c1SCC2
InChIInChI=1S/C11H8ClN3S/c12-10-9-8(3-6-16-9)14-11(15-10)7-1-4-13-5-2-7/h1-2,4-5H,3,6H2
InChIKeyPCCQCFGIEQDSFF-UHFFFAOYSA-N
MW249.73 g/mol
LogP2.84
Rot. Bonds1

About 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine

4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine (PubChem CID 89245171) has the molecular formula C11H8ClN3S and a molecular weight of 249.73 g/mol. Its IUPAC name is 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine
PubChem CID89245171
Molecular FormulaC11H8ClN3S
Molecular Weight249.73 g/mol
Exact Mass249.01
IUPAC Name4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESClc1nc(-c2ccncc2)nc2c1SCC2
InChIInChI=1S/C11H8ClN3S/c12-10-9-8(3-6-16-9)14-11(15-10)7-1-4-13-5-2-7/h1-2,4-5H,3,6H2
InChIKeyPCCQCFGIEQDSFF-UHFFFAOYSA-N
XLogP2.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.73
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine (CID 89245171) is 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine is Clc1nc(-c2ccncc2)nc2c1SCC2.
What is the InChIKey of 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine?
The InChIKey is PCCQCFGIEQDSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN3S/c12-10-9-8(3-6-16-9)14-11(15-10)7-1-4-13-5-2-7/h1-2,4-5H,3,6H2.
What are the key properties of 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine?
4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine has a molecular weight of 249.73 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidine is sourced from PubChem (CID 89245171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).