N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine

C34H33N5 — CID 3383705

IUPACN-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cncc(-c3cc(NC4CCN(Cc5ccccc5)CC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C34H33N5/c1-25-12-14-27(15-13-25)29-20-30(23-35-22-29)32-21-33(38-34(37-32)28-10-6-3-7-11-28)36-31-16-18-39(19-17-31)24-26-8-4-2-5-9-26/h2-15,20-23,31H,16-19,24H2,1H3,(H,36,37,38)
InChIKeyAXWIBVBDIBJRKO-UHFFFAOYSA-N
MW511.67 g/mol
LogP7.26
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine

N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine (PubChem CID 3383705) has the molecular formula C34H33N5 and a molecular weight of 511.67 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
PubChem CID3383705
Molecular FormulaC34H33N5
Molecular Weight511.67 g/mol
Exact Mass511.27
IUPAC NameN-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine
SMILESCc1ccc(-c2cncc(-c3cc(NC4CCN(Cc5ccccc5)CC4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C34H33N5/c1-25-12-14-27(15-13-25)29-20-30(23-35-22-29)32-21-33(38-34(37-32)28-10-6-3-7-11-28)36-31-16-18-39(19-17-31)24-26-8-4-2-5-9-26/h2-15,20-23,31H,16-19,24H2,1H3,(H,36,37,38)
InChIKeyAXWIBVBDIBJRKO-UHFFFAOYSA-N
XLogP7.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-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-(4-((4-Ethyl-1-piperazinyl)methyl)phenyl)-N-((1R)-1-phenylethyl)-7H-pyrrolo(2,3-d)pyrimidin-4-amine
CID 10297043
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
(4-tert-Butyl-phenyl)-[7-(3-trifluoromethyl-pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl]-amine
CID 24782891
Sri-9439
CID 446752
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
Pik-iii
CID 67983123
5-Chloro-6-methyl-N-(2-phenylethyl)-2-pyridin-2-ylpyrimidin-4-amine
CID 2740174
2-(6-methylpyridin-2-yl)-N-(pyridin-4-yl)quinazolin-4-amine
CID 10267580
N-benzyl-2-pyridin-4-ylquinazolin-4-amine
CID 921562
N-(4-methylphenyl)-4-quinolin-4-ylpyrimidin-2-amine
CID 44820374
N-(4-tert-butylphenyl)-2-propan-2-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 24783142
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine (CID 3383705) is N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine is Cc1ccc(-c2cncc(-c3cc(NC4CCN(Cc5ccccc5)CC4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
The InChIKey is AXWIBVBDIBJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33N5/c1-25-12-14-27(15-13-25)29-20-30(23-35-22-29)32-21-33(38-34(37-32)28-10-6-3-7-11-28)36-31-16-18-39(19-17-31)24-26-8-4-2-5-9-26/h2-15,20-23,31H,16-19,24H2,1H3,(H,36,37,38).
What are the key properties of N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine?
N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine has a molecular weight of 511.67 g/mol, XLogP of 7.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-6-[5-(4-methylphenyl)-3-pyridinyl]-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 3383705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).