N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine

C17H22N4 — CID 112884450

IUPACN-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESCC(Nc1nccc(N2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C17H22N4/c1-14(15-8-4-2-5-9-15)19-17-18-11-10-16(20-17)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,18,19,20)
InChIKeyFIBQAGARWBJHAE-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.64
Rot. Bonds4

About N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine

N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine (PubChem CID 112884450) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
PubChem CID112884450
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
SMILESCC(Nc1nccc(N2CCCCC2)n1)c1ccccc1
InChIInChI=1S/C17H22N4/c1-14(15-8-4-2-5-9-15)19-17-18-11-10-16(20-17)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,18,19,20)
InChIKeyFIBQAGARWBJHAE-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

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Related Compounds

4-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890728
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112885071
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732
4-(azepan-1-yl)-N-tert-butylpyrimidin-2-amine
CID 112899807
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
4-[1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]benzimidazol-5-yl]-6-piperidin-1-ylpyrimidin-2-amine
CID 59924747
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193887

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine (CID 112884450) is N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine is CC(Nc1nccc(N2CCCCC2)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine?
The InChIKey is FIBQAGARWBJHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14(15-8-4-2-5-9-15)19-17-18-11-10-16(20-17)21-12-6-3-7-13-21/h2,4-5,8-11,14H,3,6-7,12-13H2,1H3,(H,18,19,20).
What are the key properties of N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine?
N-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-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)-4-piperidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112884450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).