N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine

C37H31N6- — CID 145390222

IUPACN'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine
SMILESNC(NC1=NC(c2ccccc2)C=C(c2ccccc2)N1)c1ccc(C2=Nc3ccccc3C(c3ccccc3)[N-]2)cc1
InChIInChI=1S/C37H31N6/c38-35(43-37-40-32(25-12-4-1-5-13-25)24-33(41-37)26-14-6-2-7-15-26)28-20-22-29(23-21-28)36-39-31-19-11-10-18-30(31)34(42-36)27-16-8-3-9-17-27/h1-24,32,34-35H,38H2,(H2-,39,40,41,42,43)/q-1
InChIKeyKHYUODRVLRWGDW-UHFFFAOYSA-N
MW559.70 g/mol
LogP7.53
Rot. Bonds6

About N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine

N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine (PubChem CID 145390222) has the molecular formula C37H31N6- and a molecular weight of 559.70 g/mol. Its IUPAC name is N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine.

Molecular Properties

Compound NameN'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine
PubChem CID145390222
Molecular FormulaC37H31N6-
Molecular Weight559.70 g/mol
Exact Mass559.26
IUPAC NameN'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine
SMILESNC(NC1=NC(c2ccccc2)C=C(c2ccccc2)N1)c1ccc(C2=Nc3ccccc3C(c3ccccc3)[N-]2)cc1
InChIInChI=1S/C37H31N6/c38-35(43-37-40-32(25-12-4-1-5-13-25)24-33(41-37)26-14-6-2-7-15-26)28-20-22-29(23-21-28)36-39-31-19-11-10-18-30(31)34(42-36)27-16-8-3-9-17-27/h1-24,32,34-35H,38H2,(H2-,39,40,41,42,43)/q-1
InChIKeyKHYUODRVLRWGDW-UHFFFAOYSA-N
XLogP7.53
TPSA88.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.70
LogP ≤ 57.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine 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

N'-(4,6-diphenylpyrimidin-2-yl)-1-[4-[3-[2-phenyl-6-(4-phenylphenyl)-1,4-dihydropyrimidin-4-yl]phenyl]phenyl]methanediamine
CID 145390184
2-(3-methylphenyl)-4-(4-methylphenyl)-6-phenyl-1,4-dihydropyrimidine
CID 163983401
2,4-diphenyl-6-[2-phenyl-4-(3-phenylphenyl)-1,4-dihydropyrimidin-6-yl]-1,3,5-triazine
CID 163727041
9-[4-[3-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]carbazole
CID 123838452
9-[4-[3-[4-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)phenyl]phenyl]phenyl]carbazole
CID 123211425
(7S)-5,7-diphenyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 684789
6-[4-(9,9-difluorofluoren-2-yl)phenyl]-2,4-diphenyl-1,4-dihydropyrimidine
CID 135247165
2-[3-[6-phenyl-4-(4-phenylphenyl)-1,4-dihydropyrimidin-2-yl]phenyl]-1,3-benzoxazole
CID 170071878
2-[2-[4-(2,6-diphenyl-1,4-dihydropyrimidin-4-yl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 135247214
4,6-diphenyl-2-(3-spiro[benzo[g]fluorene-7,9'-xanthene]-9-ylphenyl)-1,4-dihydropyrimidine
CID 134304744
9-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-2-phenyl-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole
CID 134365315
4,6-diphenyl-2-(4-spiro[benzo[b]fluorene-11,9'-xanthene]-2-ylphenyl)-1,4-dihydropyrimidine
CID 134303848

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine?
The IUPAC name of N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine (CID 145390222) is N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine.
What is the SMILES notation for N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine?
The canonical SMILES for N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine is NC(NC1=NC(c2ccccc2)C=C(c2ccccc2)N1)c1ccc(C2=Nc3ccccc3C(c3ccccc3)[N-]2)cc1.
What is the InChIKey of N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine?
The InChIKey is KHYUODRVLRWGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N6/c38-35(43-37-40-32(25-12-4-1-5-13-25)24-33(41-37)26-14-6-2-7-15-26)28-20-22-29(23-21-28)36-39-31-19-11-10-18-30(31)34(42-36)27-16-8-3-9-17-27/h1-24,32,34-35H,38H2,(H2-,39,40,41,42,43)/q-1.
What are the key properties of N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine?
N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine has a molecular weight of 559.70 g/mol, XLogP of 7.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-diphenyl-1,4-dihydropyrimidin-2-yl)-1-[4-(4-phenyl-4H-quinazolin-3-id-2-yl)phenyl]methanediamine is sourced from PubChem (CID 145390222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).