4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine

C12H8ClN3S — CID 83971509

IUPAC4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine
SMILESCc1sc2c(Cl)ncnc2c1-c1ccccn1
InChIInChI=1S/C12H8ClN3S/c1-7-9(8-4-2-3-5-14-8)10-11(17-7)12(13)16-6-15-10/h2-6H,1H3
InChIKeyDQIBNBOKKSCDPT-UHFFFAOYSA-N
MW261.74 g/mol
LogP3.72
Rot. Bonds1

About 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine

4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine (PubChem CID 83971509) has the molecular formula C12H8ClN3S and a molecular weight of 261.74 g/mol. Its IUPAC name is 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine
PubChem CID83971509
Molecular FormulaC12H8ClN3S
Molecular Weight261.74 g/mol
Exact Mass261.01
IUPAC Name4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine
SMILESCc1sc2c(Cl)ncnc2c1-c1ccccn1
InChIInChI=1S/C12H8ClN3S/c1-7-9(8-4-2-3-5-14-8)10-11(17-7)12(13)16-6-15-10/h2-6H,1H3
InChIKeyDQIBNBOKKSCDPT-UHFFFAOYSA-N
XLogP3.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.74
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-7-(3-chlorophenyl)-6-methylthieno[3,2-d]pyrimidine
CID 83971521
4-chloro-[1]benzothiolo[3,2-d]pyrimidine
CID 821835
2-(4-chloro-5-methylthiophen-2-yl)pyridine
CID 174439446
4,5-dimethyl-2-pyridin-2-yl-1,3-thiazole
CID 58923237
4-ethyl-5-methyl-3-pyridin-2-ylthiophen-2-amine
CID 60987524
4-chloro-5-pyridin-2-ylpyrimidine
CID 105371145
4-ethyl-5-methyl-2-pyridin-2-yl-1,3-thiazole
CID 91387936
4-chloro-6-pyridin-2-ylpyrimidine-5-carbaldehyde
CID 79078535
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
2-(4-methylphenyl)pyridine;silver
CID 121395993
2,4-dichloro-8-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 134399047
2-[5-(5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 14748061

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine (CID 83971509) is 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine is Cc1sc2c(Cl)ncnc2c1-c1ccccn1.
What is the InChIKey of 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine?
The InChIKey is DQIBNBOKKSCDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3S/c1-7-9(8-4-2-3-5-14-8)10-11(17-7)12(13)16-6-15-10/h2-6H,1H3.
What are the key properties of 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine?
4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine has a molecular weight of 261.74 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-7-pyridin-2-ylthieno[3,2-d]pyrimidine is sourced from PubChem (CID 83971509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).