5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine

C25H24N4 — CID 70022479

IUPAC5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCc1cccc(-c2cnc(NCCCc3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C25H24N4/c1-19-7-5-11-22(17-19)23-18-28-25(29-24(23)21-12-15-26-16-13-21)27-14-6-10-20-8-3-2-4-9-20/h2-5,7-9,11-13,15-18H,6,10,14H2,1H3,(H,27,28,29)
InChIKeyUPRGGCPDWBVMRU-UHFFFAOYSA-N
MW380.50 g/mol
LogP5.56
Rot. Bonds7

About 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine

5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 70022479) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID70022479
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC Name5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCc1cccc(-c2cnc(NCCCc3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C25H24N4/c1-19-7-5-11-22(17-19)23-18-28-25(29-24(23)21-12-15-26-16-13-21)27-14-6-10-20-8-3-2-4-9-20/h2-5,7-9,11-13,15-18H,6,10,14H2,1H3,(H,27,28,29)
InChIKeyUPRGGCPDWBVMRU-UHFFFAOYSA-N
XLogP5.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.50
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine
CID 70023723
1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine
CID 23000369
5-methyl-N-(3-phenylpropyl)pyrimidin-2-amine
CID 63208283
5-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 23000432
N-[3-(3-aminophenyl)propyl]-4-pyridin-4-yl-5-(trifluoromethyl)pyrimidin-2-amine
CID 174411839
5-chloro-N-(3-phenylpropyl)pyrimidin-2-amine
CID 79557504
1-(2-fluorophenyl)-N'-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]propane-1,3-diamine;hydrochloride
CID 70023989
6-methyl-4-N-(3-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924413
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
1-N-[5-(4-chlorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine;hydrochloride
CID 23000452
N-[3-(3-methylphenyl)propyl]aniline
CID 62365007
N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine
CID 95803036

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine (CID 70022479) is 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine is Cc1cccc(-c2cnc(NCCCc3ccccc3)nc2-c2ccncc2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is UPRGGCPDWBVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4/c1-19-7-5-11-22(17-19)23-18-28-25(29-24(23)21-12-15-26-16-13-21)27-14-6-10-20-8-3-2-4-9-20/h2-5,7-9,11-13,15-18H,6,10,14H2,1H3,(H,27,28,29).
What are the key properties of 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine?
5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 380.50 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 70022479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).