N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine

C21H20N6 — CID 97436463

IUPACN-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESc1ccc([C@H](CCn2ccnc2)Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C21H20N6/c1-2-5-17(6-3-1)20(9-13-27-14-12-23-16-27)26-21-24-11-8-19(25-21)18-7-4-10-22-15-18/h1-8,10-12,14-16,20H,9,13H2,(H,24,25,26)/t20-/m0/s1
InChIKeyXHGROQXGLIOOTH-FQEVSTJZSA-N
MW356.43 g/mol
LogP3.98
Rot. Bonds7

About N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine

N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 97436463) has the molecular formula C21H20N6 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID97436463
Molecular FormulaC21H20N6
Molecular Weight356.43 g/mol
Exact Mass356.17
IUPAC NameN-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine
SMILESc1ccc([C@H](CCn2ccnc2)Nc2nccc(-c3cccnc3)n2)cc1
InChIInChI=1S/C21H20N6/c1-2-5-17(6-3-1)20(9-13-27-14-12-23-16-27)26-21-24-11-8-19(25-21)18-7-4-10-22-15-18/h1-8,10-12,14-16,20H,9,13H2,(H,24,25,26)/t20-/m0/s1
InChIKeyXHGROQXGLIOOTH-FQEVSTJZSA-N
XLogP3.98
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 97436462
N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 96570859
5-ethyl-N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 95895118
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92611687
N-(benzylideneamino)-4-pyridin-3-ylpyrimidin-2-amine
CID 2824458
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
4-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
CID 74240597
4-(2-imidazol-1-ylethyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 61461204
3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
CID 72845904
3-[(4-methylpiperazin-1-yl)-[(4-pyridin-3-ylpyrimidin-2-yl)amino]methyl]benzamide
CID 67378201
N-(3-imidazol-1-ylpropyl)-4-(3-nitrophenyl)pyrimidin-2-amine
CID 46227556
N-[3-(3-imidazol-1-ylpropoxy)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide
CID 11295089

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine (CID 97436463) is N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine is c1ccc([C@H](CCn2ccnc2)Nc2nccc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is XHGROQXGLIOOTH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H20N6/c1-2-5-17(6-3-1)20(9-13-27-14-12-23-16-27)26-21-24-11-8-19(25-21)18-7-4-10-22-15-18/h1-8,10-12,14-16,20H,9,13H2,(H,24,25,26)/t20-/m0/s1.
What are the key properties of N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine?
N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-imidazol-1-yl-1-phenylpropyl]-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 97436463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).