4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine

C19H26N4 — CID 112926580

IUPAC4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCCCC2)nc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C19H26N4/c1-14-9-8-10-15(2)18(14)22-19-20-16(3)13-17(21-19)23-11-6-4-5-7-12-23/h8-10,13H,4-7,11-12H2,1-3H3,(H,20,21,22)
InChIKeyPBJURKXIONFRIZ-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.53
Rot. Bonds3

About 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine

4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine (PubChem CID 112926580) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
PubChem CID112926580
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCCCCC2)nc(Nc2c(C)cccc2C)n1
InChIInChI=1S/C19H26N4/c1-14-9-8-10-15(2)18(14)22-19-20-16(3)13-17(21-19)23-11-6-4-5-7-12-23/h8-10,13H,4-7,11-12H2,1-3H3,(H,20,21,22)
InChIKeyPBJURKXIONFRIZ-UHFFFAOYSA-N
XLogP4.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidin-2-amine
CID 112926589
N-(2,6-dimethylphenyl)-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112923455
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
1-[3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]ethanone
CID 112910099
N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909339
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909346
4-(2,3-dihydroindol-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112927670
(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)hydrazine
CID 80927767
4-(azepan-1-yl)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112926668

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine (CID 112926580) is 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCCCCC2)nc(Nc2c(C)cccc2C)n1.
What is the InChIKey of 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is PBJURKXIONFRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-14-9-8-10-15(2)18(14)22-19-20-16(3)13-17(21-19)23-11-6-4-5-7-12-23/h8-10,13H,4-7,11-12H2,1-3H3,(H,20,21,22).
What are the key properties of 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine?
4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 310.45 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112926580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).