4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine

C12H9ClN4S — CID 115528625

IUPAC4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine
SMILESCc1nccc(-c2nc(Cl)c3cc(C)sc3n2)n1
InChIInChI=1S/C12H9ClN4S/c1-6-5-8-10(13)16-11(17-12(8)18-6)9-3-4-14-7(2)15-9/h3-5H,1-2H3
InChIKeyCHEJGWMDPPINBX-UHFFFAOYSA-N
MW276.75 g/mol
LogP3.42
Rot. Bonds1

About 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine

4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine (PubChem CID 115528625) has the molecular formula C12H9ClN4S and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine
PubChem CID115528625
Molecular FormulaC12H9ClN4S
Molecular Weight276.75 g/mol
Exact Mass276.02
IUPAC Name4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine
SMILESCc1nccc(-c2nc(Cl)c3cc(C)sc3n2)n1
InChIInChI=1S/C12H9ClN4S/c1-6-5-8-10(13)16-11(17-12(8)18-6)9-3-4-14-7(2)15-9/h3-5H,1-2H3
InChIKeyCHEJGWMDPPINBX-UHFFFAOYSA-N
XLogP3.42
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-methyl-2-(1-methylpyrrol-3-yl)thieno[2,3-d]pyrimidine
CID 166119810
4-chloro-2-(2-chloro-6-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
CID 63614541
4-chloro-2-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine
CID 55247605
[2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 115531208
5-bromo-4-chloro-6-ethyl-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527526
4-chloro-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine;N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 161065061
N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614537
4-chloro-6-methyl-N-propylthieno[2,3-d]pyrimidin-2-amine
CID 82309354
5-bromo-4-chloro-6-(2-methylpropyl)-2-(2-methylpyrimidin-4-yl)pyrimidine
CID 115527549
4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
CID 63614533
4,6-dimethyl-2-(2-methylpyrimidin-4-yl)pyrimidine-5-carboxylic acid
CID 113329643

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine (CID 115528625) is 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine is Cc1nccc(-c2nc(Cl)c3cc(C)sc3n2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine?
The InChIKey is CHEJGWMDPPINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4S/c1-6-5-8-10(13)16-11(17-12(8)18-6)9-3-4-14-7(2)15-9/h3-5H,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine?
4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine has a molecular weight of 276.75 g/mol, XLogP of 3.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(2-methylpyrimidin-4-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 115528625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).