4-chloro-2-methylimidazo[1,5-a]pyrimidine

C7H6ClN3 — CID 135052366

IUPAC4-chloro-2-methylimidazo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2cncc2n1
InChIInChI=1S/C7H6ClN3/c1-5-2-6(8)11-4-9-3-7(11)10-5/h2-4H,1H3
InChIKeyFTZCFEPASCRNGG-UHFFFAOYSA-N
MW167.60 g/mol
LogP1.69
Rot. Bonds

About 4-chloro-2-methylimidazo[1,5-a]pyrimidine

4-chloro-2-methylimidazo[1,5-a]pyrimidine (PubChem CID 135052366) has the molecular formula C7H6ClN3 and a molecular weight of 167.60 g/mol. Its IUPAC name is 4-chloro-2-methylimidazo[1,5-a]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methylimidazo[1,5-a]pyrimidine
PubChem CID135052366
Molecular FormulaC7H6ClN3
Molecular Weight167.60 g/mol
Exact Mass167.03
IUPAC Name4-chloro-2-methylimidazo[1,5-a]pyrimidine
SMILESCc1cc(Cl)n2cncc2n1
InChIInChI=1S/C7H6ClN3/c1-5-2-6(8)11-4-9-3-7(11)10-5/h2-4H,1H3
InChIKeyFTZCFEPASCRNGG-UHFFFAOYSA-N
XLogP1.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.60
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-methyl-2-propylpyrazolo[1,5-a]pyrimidine
CID 83702760
7-chloro-2-cyclobutyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269835
7-chloro-2-cyclopentyl-5-methylpyrazolo[1,5-a]pyrimidine
CID 82269836
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 80663298
5-chloro-3-(1-methylimidazol-4-yl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 107972903
7-chloro-2-(2,4-dichlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 140990710
1-[1,1-bis(3,5-dimethylpyrazol-1-yl)ethyl]-3,5-dimethylpyrazole;dichloromanganese
CID 22496966
2-chloro-4,6-dimethylpyrimidine
CID 20550
5-chloroimidazo[1,5-a]pyridine-7-carbonitrile
CID 130066376
1-(2-methylimidazo[1,2-a]pyrazin-5-yl)ethanone
CID 123516618
2-methylsulfanylimidazo[1,5-a][1,3,5]triazin-4-amine
CID 10464931
6-bromo-5-chloro-2-methylimidazo[1,2-a]pyrazine
CID 86717496

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylimidazo[1,5-a]pyrimidine?
The IUPAC name of 4-chloro-2-methylimidazo[1,5-a]pyrimidine (CID 135052366) is 4-chloro-2-methylimidazo[1,5-a]pyrimidine.
What is the SMILES notation for 4-chloro-2-methylimidazo[1,5-a]pyrimidine?
The canonical SMILES for 4-chloro-2-methylimidazo[1,5-a]pyrimidine is Cc1cc(Cl)n2cncc2n1.
What is the InChIKey of 4-chloro-2-methylimidazo[1,5-a]pyrimidine?
The InChIKey is FTZCFEPASCRNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3/c1-5-2-6(8)11-4-9-3-7(11)10-5/h2-4H,1H3.
What are the key properties of 4-chloro-2-methylimidazo[1,5-a]pyrimidine?
4-chloro-2-methylimidazo[1,5-a]pyrimidine has a molecular weight of 167.60 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylimidazo[1,5-a]pyrimidine is sourced from PubChem (CID 135052366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).