4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine

C18H24N4 — CID 112885071

IUPAC4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NC(C)c3ccccc3)n2)CC1
InChIInChI=1S/C18H24N4/c1-14-9-12-22(13-10-14)17-8-11-19-18(21-17)20-15(2)16-6-4-3-5-7-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,19,20,21)
InChIKeyGLVGRZCHRYUUNG-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.89
Rot. Bonds4

About 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine

4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine (PubChem CID 112885071) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
PubChem CID112885071
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
SMILESCC1CCN(c2ccnc(NC(C)c3ccccc3)n2)CC1
InChIInChI=1S/C18H24N4/c1-14-9-12-22(13-10-14)17-8-11-19-18(21-17)20-15(2)16-6-4-3-5-7-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,19,20,21)
InChIKeyGLVGRZCHRYUUNG-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
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-(1-phenylethyl)-4-piperidin-1-ylpyrimidin-2-amine
CID 112884450
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706
N-propan-2-yl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 70943141
1-[2-(propan-2-ylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113193887
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890774
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
methyl (2S)-1-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]pyrrolidine-2-carboxylate
CID 134560491
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890732

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine (CID 112885071) is 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine is CC1CCN(c2ccnc(NC(C)c3ccccc3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
The InChIKey is GLVGRZCHRYUUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-14-9-12-22(13-10-14)17-8-11-19-18(21-17)20-15(2)16-6-4-3-5-7-16/h3-8,11,14-15H,9-10,12-13H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine?
4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-N-(1-phenylethyl)pyrimidin-2-amine is sourced from PubChem (CID 112885071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).