5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline

C17H16ClN3 — CID 80970017

IUPAC5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
SMILESCCCc1nc(Cl)c(C)c(-c2cccc3cnccc23)n1
InChIInChI=1S/C17H16ClN3/c1-3-5-15-20-16(11(2)17(18)21-15)14-7-4-6-12-10-19-9-8-13(12)14/h4,6-10H,3,5H2,1-2H3
InChIKeyAZAKQNWOFJFOFX-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.61
Rot. Bonds3

About 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline

5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline (PubChem CID 80970017) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline.

Molecular Properties

Compound Name5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
PubChem CID80970017
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline
SMILESCCCc1nc(Cl)c(C)c(-c2cccc3cnccc23)n1
InChIInChI=1S/C17H16ClN3/c1-3-5-15-20-16(11(2)17(18)21-15)14-7-4-6-12-10-19-9-8-13(12)14/h4,6-10H,3,5H2,1-2H3
InChIKeyAZAKQNWOFJFOFX-UHFFFAOYSA-N
XLogP4.61
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(3-fluoro-4-pyridinyl)-5-methyl-2-propylpyrimidine
CID 104739134
4-chloro-6-(3-fluoro-2-methylphenyl)-5-methyl-2-propylpyrimidine
CID 115502941
4-chloro-2-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidine
CID 80975474
4-chloro-5-methyl-2-propyl-6-(2,4,5-trimethylphenyl)pyrimidine
CID 80974938
4-chloro-6-(2,3-dimethylphenyl)-2-ethyl-5-methylpyrimidine
CID 80975385
2-ethyl-6-isoquinolin-8-yl-5-methylpyrimidin-4-amine
CID 103144327
6-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)quinoline
CID 81230739
4-(4-bromophenyl)-6-chloro-5-methyl-2-propylpyrimidine
CID 80975301
5-(3-chlorophenyl)isoquinoline
CID 23602252
4-chloro-6-(5-fluoro-3-pyridinyl)-5-methyl-2-propylpyrimidine
CID 80974828
6-chloro-5-methyl-N-[(3-methyl-4-pyridinyl)methyl]-2-propylpyrimidin-4-amine
CID 114701542
5-methyl-2-propyl-6-quinolin-8-ylpyrimidin-4-amine
CID 81227897

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline?
The IUPAC name of 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline (CID 80970017) is 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline.
What is the SMILES notation for 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline?
The canonical SMILES for 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline is CCCc1nc(Cl)c(C)c(-c2cccc3cnccc23)n1.
What is the InChIKey of 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline?
The InChIKey is AZAKQNWOFJFOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-3-5-15-20-16(11(2)17(18)21-15)14-7-4-6-12-10-19-9-8-13(12)14/h4,6-10H,3,5H2,1-2H3.
What are the key properties of 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline?
5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline has a molecular weight of 297.79 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)isoquinoline is sourced from PubChem (CID 80970017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).