4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

C22H25N5 — CID 112934723

IUPAC4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESCC1CCN(c2cc(-c3ccccc3)nc(NCc3ccncc3)n2)CC1
InChIInChI=1S/C22H25N5/c1-17-9-13-27(14-10-17)21-15-20(19-5-3-2-4-6-19)25-22(26-21)24-16-18-7-11-23-12-8-18/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,24,25,26)
InChIKeyLJWFDBCPSUZGKE-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.39
Rot. Bonds5

About 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine

4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 112934723) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID112934723
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC Name4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESCC1CCN(c2cc(-c3ccccc3)nc(NCc3ccncc3)n2)CC1
InChIInChI=1S/C22H25N5/c1-17-9-13-27(14-10-17)21-15-20(19-5-3-2-4-6-19)25-22(26-21)24-16-18-7-11-23-12-8-18/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,24,25,26)
InChIKeyLJWFDBCPSUZGKE-UHFFFAOYSA-N
XLogP4.39
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-(pyridin-4-ylmethyl)-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934103
N-[(4-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936254
N-[(4-fluorophenyl)methyl]-4-phenyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112934497
1-[6-methyl-2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 113194114
4-(3-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112937177
N-[(4-chlorophenyl)methyl]-4-morpholin-4-yl-6-phenylpyrimidin-2-amine
CID 112935378
1-[2-(4-methylpiperidin-1-yl)-6-phenylpyrimidin-4-yl]azepane
CID 112934784
N-[(4-fluorophenyl)methyl]-4-methyl-6-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112910693
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885070
3-[[[4-(4-hydroxypiperidin-1-yl)-6-phenylpyrimidin-2-yl]amino]methyl]benzamide
CID 68649585
N-butyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112933620
N-[(2-methylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-amine
CID 112936252

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 112934723) is 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is CC1CCN(c2cc(-c3ccccc3)nc(NCc3ccncc3)n2)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is LJWFDBCPSUZGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-17-9-13-27(14-10-17)21-15-20(19-5-3-2-4-6-19)25-22(26-21)24-16-18-7-11-23-12-8-18/h2-8,11-12,15,17H,9-10,13-14,16H2,1H3,(H,24,25,26).
What are the key properties of 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine?
4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 359.48 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-6-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 112934723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).