1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane

C15H24ClN3 — CID 80978841

IUPAC1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
SMILESCCCc1nc(Cl)c(C)c(N2CCCCCC2C)n1
InChIInChI=1S/C15H24ClN3/c1-4-8-13-17-14(16)12(3)15(18-13)19-10-7-5-6-9-11(19)2/h11H,4-10H2,1-3H3
InChIKeyXILMEWSXUOIRPQ-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.16
Rot. Bonds3

About 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane

1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane (PubChem CID 80978841) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
PubChem CID80978841
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
SMILESCCCc1nc(Cl)c(C)c(N2CCCCCC2C)n1
InChIInChI=1S/C15H24ClN3/c1-4-8-13-17-14(16)12(3)15(18-13)19-10-7-5-6-9-11(19)2/h11H,4-10H2,1-3H3
InChIKeyXILMEWSXUOIRPQ-UHFFFAOYSA-N
XLogP4.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80971909
N,5-dimethyl-6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80985513
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82751091
1-(6-chloro-5-methyl-2-propan-2-ylpyrimidin-4-yl)-2-methylazepane
CID 80977670
2-ethyl-N,5-dimethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80981348
4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80972005
4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine
CID 80978781
6-chloro-5-methyl-N-(2-methylcyclohexyl)-2-propylpyrimidin-4-amine
CID 80970319
[6-(2-methylazepan-1-yl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947173
2-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 80978874
1-[1-(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 80971751
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 80980277

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane?
The IUPAC name of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane (CID 80978841) is 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane.
What is the SMILES notation for 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane?
The canonical SMILES for 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane is CCCc1nc(Cl)c(C)c(N2CCCCCC2C)n1.
What is the InChIKey of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane?
The InChIKey is XILMEWSXUOIRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-4-8-13-17-14(16)12(3)15(18-13)19-10-7-5-6-9-11(19)2/h11H,4-10H2,1-3H3.
What are the key properties of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane?
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane has a molecular weight of 281.83 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane is sourced from PubChem (CID 80978841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).