N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine

C17H22N4 — CID 112856019

IUPACN-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
SMILESCC(Nc1cc(N2CCCCC2)ncn1)c1ccccc1
InChIInChI=1S/C17H22N4/c1-14(15-8-4-2-5-9-15)20-16-12-17(19-13-18-16)21-10-6-3-7-11-21/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H,18,19,20)
InChIKeyILNKCADRZTZGBE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.64
Rot. Bonds4

About N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine

N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine (PubChem CID 112856019) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
PubChem CID112856019
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
SMILESCC(Nc1cc(N2CCCCC2)ncn1)c1ccccc1
InChIInChI=1S/C17H22N4/c1-14(15-8-4-2-5-9-15)20-16-12-17(19-13-18-16)21-10-6-3-7-11-21/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H,18,19,20)
InChIKeyILNKCADRZTZGBE-UHFFFAOYSA-N
XLogP3.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
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 N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine (CID 112856019) is N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine is CC(Nc1cc(N2CCCCC2)ncn1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine?
The InChIKey is ILNKCADRZTZGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14(15-8-4-2-5-9-15)20-16-12-17(19-13-18-16)21-10-6-3-7-11-21/h2,4-5,8-9,12-14H,3,6-7,10-11H2,1H3,(H,18,19,20).
What are the key properties of N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine?
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112856019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).