4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine

C28H30N6O — CID 86604146

IUPAC4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCN(c1cnc(OCc2ccccc2)c(-c2ccccc2)c1)c1ccnc(NC2CCNCC2)n1
InChIInChI=1S/C28H30N6O/c1-34(26-14-17-30-28(33-26)32-23-12-15-29-16-13-23)24-18-25(22-10-6-3-7-11-22)27(31-19-24)35-20-21-8-4-2-5-9-21/h2-11,14,17-19,23,29H,12-13,15-16,20H2,1H3,(H,30,32,33)
InChIKeyPBCAIOHIWWAFPV-UHFFFAOYSA-N
MW466.59 g/mol
LogP5.05
Rot. Bonds8

About 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine

4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine (PubChem CID 86604146) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine
PubChem CID86604146
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine
SMILESCN(c1cnc(OCc2ccccc2)c(-c2ccccc2)c1)c1ccnc(NC2CCNCC2)n1
InChIInChI=1S/C28H30N6O/c1-34(26-14-17-30-28(33-26)32-23-12-15-29-16-13-23)24-18-25(22-10-6-3-7-11-22)27(31-19-24)35-20-21-8-4-2-5-9-21/h2-11,14,17-19,23,29H,12-13,15-16,20H2,1H3,(H,30,32,33)
InChIKeyPBCAIOHIWWAFPV-UHFFFAOYSA-N
XLogP5.05
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.59
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine 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

(3R,4S)-1-[6-(6-methoxypyridin-3-yl)pyrimidin-4-yl]-4-(2,4,5-trifluorophenyl)pyrrolidin-3-amine
CID 24180585
4-[(5,6-dimethyl-2-pyridin-2-yl-3-pyridinyl)oxy]-N-(3-morpholin-4-ylphenyl)pyridin-2-amine
CID 44521022
(5S)-N-[2-(4-fluorophenoxy)pyrimidin-5-yl]-5-(4-fluorophenyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxamide
CID 139600336
2,4-Disubstituted Pyrimidine 2g
CID 5329420
2-(4-Fluoro-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 9910722
N-cycloheptyl-6-(2-morpholinoethoxy)pyrido[3,4-d]pyrimidin-4-amine
CID 11337722
2-Phenoxy-4-[1-(piperidine-4-yl)-4-(4-fluorophenyl)-5-imidazolyl]pyrimidine
CID 15872388
3-(4-ethoxyphenyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 25183355
6-(2-Methoxyphenyl)-N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]pyrimidine-2,4-Diamine
CID 124220260
N2-(4-methoxyphenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 9967928
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
2-(4-Ethyl-phenoxy)-4-[5-(4-fluoro-phenyl)-3-piperidin-4-yl-3H-imidazol-4-yl]-pyrimidine
CID 10321190

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine (CID 86604146) is 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine is CN(c1cnc(OCc2ccccc2)c(-c2ccccc2)c1)c1ccnc(NC2CCNCC2)n1.
What is the InChIKey of 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
The InChIKey is PBCAIOHIWWAFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-34(26-14-17-30-28(33-26)32-23-12-15-29-16-13-23)24-18-25(22-10-6-3-7-11-22)27(31-19-24)35-20-21-8-4-2-5-9-21/h2-11,14,17-19,23,29H,12-13,15-16,20H2,1H3,(H,30,32,33).
What are the key properties of 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine?
4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine has a molecular weight of 466.59 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(5-phenyl-6-phenylmethoxy-3-pyridinyl)-2-N-piperidin-4-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 86604146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).