N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine

C27H24N6 — CID 3610950

IUPACN-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
SMILESc1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C27H24N6/c1-3-8-21(9-4-1)23-16-24(19-29-18-23)25-17-26(30-12-7-14-33-15-13-28-20-33)32-27(31-25)22-10-5-2-6-11-22/h1-6,8-11,13,15-20H,7,12,14H2,(H,30,31,32)
InChIKeyXCKZFRVFCOCWRD-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.57
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine

N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 3610950) has the molecular formula C27H24N6 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID3610950
Molecular FormulaC27H24N6
Molecular Weight432.53 g/mol
Exact Mass432.21
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
SMILESc1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C27H24N6/c1-3-8-21(9-4-1)23-16-24(19-29-18-23)25-17-26(30-12-7-14-33-15-13-28-20-33)32-27(31-25)22-10-5-2-6-11-22/h1-6,8-11,13,15-20H,7,12,14H2,(H,30,31,32)
InChIKeyXCKZFRVFCOCWRD-UHFFFAOYSA-N
XLogP5.57
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(2-fluorophenyl)-N-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylpyrimidin-4-amine
CID 4106530
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 3472012
7-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylquinazolin-4-amine
CID 68862663
2-[6-(3-imidazol-1-ylpropylamino)-4-(2-methylphenyl)-2-pyridinyl]-4-methylphenol
CID 137290891
N-(3-imidazol-1-ylpropyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4025230
N-(3-imidazol-1-ylpropyl)-2-phenylpyrazolo[1,5-a]quinazolin-5-amine
CID 73333742
3-[(2,6-dipyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 3479964
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
5-(3-imidazol-1-ylpropylamino)pyridine-3-carboxylic acid
CID 82535210
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)propan-2-amine
CID 19429444
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine (CID 3610950) is N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine is c1ccc(-c2cncc(-c3cc(NCCCn4ccnc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is XCKZFRVFCOCWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6/c1-3-8-21(9-4-1)23-16-24(19-29-18-23)25-17-26(30-12-7-14-33-15-13-28-20-33)32-27(31-25)22-10-5-2-6-11-22/h1-6,8-11,13,15-20H,7,12,14H2,(H,30,31,32).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine?
N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 432.53 g/mol, XLogP of 5.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 3610950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).