6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine

C18H24N4 — CID 112859333

IUPAC6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(N2CCCCCC2)ncn1)c1ccccc1
InChIInChI=1S/C18H24N4/c1-15(16-9-5-4-6-10-16)21-17-13-18(20-14-19-17)22-11-7-2-3-8-12-22/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,19,20,21)
InChIKeyLIRPEHRHQNZNHB-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.03
Rot. Bonds4

About 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine

6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine (PubChem CID 112859333) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
PubChem CID112859333
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(N2CCCCCC2)ncn1)c1ccccc1
InChIInChI=1S/C18H24N4/c1-15(16-9-5-4-6-10-16)21-17-13-18(20-14-19-17)22-11-7-2-3-8-12-22/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,19,20,21)
InChIKeyLIRPEHRHQNZNHB-UHFFFAOYSA-N
XLogP4.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
N-(1-phenylethyl)-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112859300
6-(4-ethylpiperazin-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112858031
N-[1-(3,4-dimethoxyphenyl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133297281
N-[1-(2-bromophenyl)ethyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 133290454
N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112859315
6-morpholin-4-yl-N-[(1R)-1-pyridin-4-ylethyl]pyrimidin-4-amine
CID 124626033
N-(1-phenyl-2-pyridin-2-ylethyl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 167788319
4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
6-N-cyclopropyl-4-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112854699

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine (CID 112859333) is 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine is CC(Nc1cc(N2CCCCCC2)ncn1)c1ccccc1.
What is the InChIKey of 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
The InChIKey is LIRPEHRHQNZNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-15(16-9-5-4-6-10-16)21-17-13-18(20-14-19-17)22-11-7-2-3-8-12-22/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,19,20,21).
What are the key properties of 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine?
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine has a molecular weight of 296.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 112859333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).