6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine

C28H25N5 — CID 89431886

IUPAC6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2cc3cccc(C)c3nc2-c2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C28H25N5/c1-19-10-9-13-22-17-23(27(33-26(19)22)21-11-5-3-6-12-21)18-29-25-16-20(2)30-28(32-25)31-24-14-7-4-8-15-24/h3-17H,18H2,1-2H3,(H2,29,30,31,32)
InChIKeyKUGJQXFPVYZJKM-UHFFFAOYSA-N
MW431.54 g/mol
LogP6.66
Rot. Bonds6

About 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine

6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 89431886) has the molecular formula C28H25N5 and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine
PubChem CID89431886
Molecular FormulaC28H25N5
Molecular Weight431.54 g/mol
Exact Mass431.21
IUPAC Name6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine
SMILESCc1cc(NCc2cc3cccc(C)c3nc2-c2ccccc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C28H25N5/c1-19-10-9-13-22-17-23(27(33-26(19)22)21-11-5-3-6-12-21)18-29-25-16-20(2)30-28(32-25)31-24-14-7-4-8-15-24/h3-17H,18H2,1-2H3,(H2,29,30,31,32)
InChIKeyKUGJQXFPVYZJKM-UHFFFAOYSA-N
XLogP6.66
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-benzyl-6-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 5276763
6-methyl-2-N-[(2-methylphenyl)methyl]-4-N-phenylpyrimidine-2,4-diamine
CID 112915976
6-methyl-2-N-phenyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919143
6-methyl-2-N-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919456
2-N-(2,6-dimethylphenyl)-6-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 112926803
4-N-[(2-chlorophenyl)methyl]-6-methyl-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112917792
2-N-benzyl-6-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112915625
2-N-(3,5-dimethylphenyl)-4-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112917253
4-N-[(2-fluorophenyl)methyl]-2-N-(4-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
CID 112917280
N-[4-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112915576
2-N-(4-tert-butylphenyl)-4-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-2,4-diamine
CID 112918230
6-methyl-4-N-phenyl-2-N-pyridin-4-ylpyrimidine-2,4-diamine
CID 117083923

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine (CID 89431886) is 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine is Cc1cc(NCc2cc3cccc(C)c3nc2-c2ccccc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is KUGJQXFPVYZJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5/c1-19-10-9-13-22-17-23(27(33-26(19)22)21-11-5-3-6-12-21)18-29-25-16-20(2)30-28(32-25)31-24-14-7-4-8-15-24/h3-17H,18H2,1-2H3,(H2,29,30,31,32).
What are the key properties of 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine?
6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 431.54 g/mol, XLogP of 6.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[(8-methyl-2-phenylquinolin-3-yl)methyl]-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 89431886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).