2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine

C19H26N4 — CID 112901638

IUPAC2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C19H26N4/c1-3-16-10-8-9-15(2)18(16)21-17-11-12-20-19(22-17)23-13-6-4-5-7-14-23/h8-12H,3-7,13-14H2,1-2H3,(H,20,21,22)
InChIKeyKRJKTQRUGYKWEO-UHFFFAOYSA-N
MW310.45 g/mol
LogP4.47
Rot. Bonds4

About 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine

2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine (PubChem CID 112901638) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
PubChem CID112901638
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine
SMILESCCc1cccc(C)c1Nc1ccnc(N2CCCCCC2)n1
InChIInChI=1S/C19H26N4/c1-3-16-10-8-9-15(2)18(16)21-17-11-12-20-19(22-17)23-13-6-4-5-7-14-23/h8-12H,3-7,13-14H2,1-2H3,(H,20,21,22)
InChIKeyKRJKTQRUGYKWEO-UHFFFAOYSA-N
XLogP4.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-diethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899009
N-(2-ethyl-6-methylphenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909511
N-(2,6-dimethylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112898838
N-(2-ethylphenyl)-2-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112896496
N-(2-ethyl-6-methylphenyl)-2-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-4-amine
CID 112914381
N-(2-ethoxyphenyl)-2-piperidin-1-ylpyrimidin-4-amine
CID 112884703
4-N-(2-ethyl-6-methylphenyl)-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112902119
[2-(2-ethyl-6-methylanilino)pyrimidin-4-yl]-pyrrolidin-1-ylmethanone
CID 109297753
2-(azepan-1-yl)-N-(2,3-dichlorophenyl)pyrimidin-4-amine
CID 112901677
N-(2,6-diethylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)-1,2,4-triazin-5-amine
CID 112958134
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334362
N-(2-ethyl-6-methylphenyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112875535

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine (CID 112901638) is 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine is CCc1cccc(C)c1Nc1ccnc(N2CCCCCC2)n1.
What is the InChIKey of 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine?
The InChIKey is KRJKTQRUGYKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-16-10-8-9-15(2)18(16)21-17-11-12-20-19(22-17)23-13-6-4-5-7-14-23/h8-12H,3-7,13-14H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine?
2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine has a molecular weight of 310.45 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2-ethyl-6-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112901638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).