1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine

C25H25N5 — CID 23000369

IUPAC1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine
SMILESCc1cccc(-c2cnc(NCC(N)Cc3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C25H25N5/c1-18-6-5-9-21(14-18)23-17-29-25(30-24(23)20-10-12-27-13-11-20)28-16-22(26)15-19-7-3-2-4-8-19/h2-14,17,22H,15-16,26H2,1H3,(H,28,29,30)
InChIKeyXPMCPFMKOICLQX-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.50
Rot. Bonds7

About 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine

1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine (PubChem CID 23000369) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine
PubChem CID23000369
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine
SMILESCc1cccc(-c2cnc(NCC(N)Cc3ccccc3)nc2-c2ccncc2)c1
InChIInChI=1S/C25H25N5/c1-18-6-5-9-21(14-18)23-17-29-25(30-24(23)20-10-12-27-13-11-20)28-16-22(26)15-19-7-3-2-4-8-19/h2-14,17,22H,15-16,26H2,1H3,(H,28,29,30)
InChIKeyXPMCPFMKOICLQX-UHFFFAOYSA-N
XLogP4.50
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(4-chlorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine;hydrochloride
CID 23000452
5-(3-methylphenyl)-N-(3-phenylpropyl)-4-pyridin-4-ylpyrimidin-2-amine
CID 70022479
1-N-[8-(3-methylphenyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 134312493
1-N-[5-(4-fluorophenyl)-4-pyridin-4-ylpyrimidin-2-yl]propane-1,2-diamine
CID 152579208
(2R)-3-phenyl-1-N-(4-pyridin-4-yl-2-pyridinyl)propane-1,2-diamine
CID 69138686
2-aminoacetamide;N-(2-phenylpropyl)-4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine;hydrochloride
CID 23000389
5-[3-(aminomethyl)phenyl]-2-[(2-amino-3-phenylpropyl)amino]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 174414051
(2S)-1-N-[5-(2-benzothiophen-1-yl)-6-pyridin-4-yl-2-pyridinyl]-3-phenylpropane-1,2-diamine
CID 69141403
1-(2-fluorophenyl)-N'-[4-pyridin-4-yl-5-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]propane-1,3-diamine;hydrochloride
CID 70023989
4-[4-[[(2R)-2-amino-3-phenylpropyl]amino]-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-8-yl]phenol
CID 136623621
1-N-[8-(3-ethoxyphenyl)-2-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 134312468

Frequently Asked Questions

What is the IUPAC name of 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine (CID 23000369) is 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine is Cc1cccc(-c2cnc(NCC(N)Cc3ccccc3)nc2-c2ccncc2)c1.
What is the InChIKey of 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine?
The InChIKey is XPMCPFMKOICLQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-18-6-5-9-21(14-18)23-17-29-25(30-24(23)20-10-12-27-13-11-20)28-16-22(26)15-19-7-3-2-4-8-19/h2-14,17,22H,15-16,26H2,1H3,(H,28,29,30).
What are the key properties of 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine?
1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine has a molecular weight of 395.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[5-(3-methylphenyl)-4-pyridin-4-ylpyrimidin-2-yl]-3-phenylpropane-1,2-diamine is sourced from PubChem (CID 23000369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).