6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine

C32H25ClN6 — CID 22643193

IUPAC6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine
SMILESNc1nc(Nc2ccc3nc(-c4ccccc4)cc(NCc4ccccc4)c3c2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C32H25ClN6/c33-24-13-11-23(12-14-24)29-19-31(39-32(34)38-29)36-25-15-16-27-26(17-25)30(35-20-21-7-3-1-4-8-21)18-28(37-27)22-9-5-2-6-10-22/h1-19H,20H2,(H,35,37)(H3,34,36,38,39)
InChIKeyCINDNUVRJLBWQW-UHFFFAOYSA-N
MW529.05 g/mol
LogP7.95
Rot. Bonds7

About 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine

6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine (PubChem CID 22643193) has the molecular formula C32H25ClN6 and a molecular weight of 529.05 g/mol. Its IUPAC name is 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine
PubChem CID22643193
Molecular FormulaC32H25ClN6
Molecular Weight529.05 g/mol
Exact Mass528.18
IUPAC Name6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine
SMILESNc1nc(Nc2ccc3nc(-c4ccccc4)cc(NCc4ccccc4)c3c2)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C32H25ClN6/c33-24-13-11-23(12-14-24)29-19-31(39-32(34)38-29)36-25-15-16-27-26(17-25)30(35-20-21-7-3-1-4-8-21)18-28(37-27)22-9-5-2-6-10-22/h1-19H,20H2,(H,35,37)(H3,34,36,38,39)
InChIKeyCINDNUVRJLBWQW-UHFFFAOYSA-N
XLogP7.95
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.05
LogP ≤ 57.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine with MolForge

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Related Compounds

4-N-benzyl-2-phenylquinoline-4,6-diamine
CID 18439905
6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-chlorophenyl)quinoline-4,6-diamine
CID 22643157
6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine
CID 22643261
4-N-(3,4-difluorophenyl)-2-phenylquinoline-4,6-diamine
CID 22417877
4-N-[4-[4-(iodomethyl)phenoxy]phenyl]-6-phenylpyrimidine-2,4-diamine
CID 89360712
4-N-(3-aminopropyl)-6-phenylpyrimidine-2,4-diamine
CID 130209355
N-tert-butyl-6-chloro-2-phenylquinolin-4-amine
CID 166442508
6-(3-amino-1H-indazol-6-yl)-4-N-benzylpyrimidine-2,4-diamine
CID 46215810
6-N-[2-amino-6-(3-fluorophenyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinoline-4,6-diamine
CID 22643185
1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827654
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 58316685

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine?
The IUPAC name of 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine (CID 22643193) is 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine.
What is the SMILES notation for 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine?
The canonical SMILES for 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine is Nc1nc(Nc2ccc3nc(-c4ccccc4)cc(NCc4ccccc4)c3c2)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine?
The InChIKey is CINDNUVRJLBWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN6/c33-24-13-11-23(12-14-24)29-19-31(39-32(34)38-29)36-25-15-16-27-26(17-25)30(35-20-21-7-3-1-4-8-21)18-28(37-27)22-9-5-2-6-10-22/h1-19H,20H2,(H,35,37)(H3,34,36,38,39).
What are the key properties of 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine?
6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine has a molecular weight of 529.05 g/mol, XLogP of 7.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine is sourced from PubChem (CID 22643193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).