6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine

C27H24N6O2 — CID 22643261

IUPAC6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine
SMILESCOc1ccc(-c2cc(Nc3ccc4nc(-c5cccc(OC)c5)cc(N)c4c3)nc(N)n2)cc1
InChIInChI=1S/C27H24N6O2/c1-34-19-9-6-16(7-10-19)25-15-26(33-27(29)32-25)30-18-8-11-23-21(13-18)22(28)14-24(31-23)17-4-3-5-20(12-17)35-2/h3-15H,1-2H3,(H2,28,31)(H3,29,30,32,33)
InChIKeyDRSITCWMYKMUMS-UHFFFAOYSA-N
MW464.53 g/mol
LogP5.28
Rot. Bonds6

About 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine

6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine (PubChem CID 22643261) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine.

Molecular Properties

Compound Name6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine
PubChem CID22643261
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine
SMILESCOc1ccc(-c2cc(Nc3ccc4nc(-c5cccc(OC)c5)cc(N)c4c3)nc(N)n2)cc1
InChIInChI=1S/C27H24N6O2/c1-34-19-9-6-16(7-10-19)25-15-26(33-27(29)32-25)30-18-8-11-23-21(13-18)22(28)14-24(31-23)17-4-3-5-20(12-17)35-2/h3-15H,1-2H3,(H2,28,31)(H3,29,30,32,33)
InChIKeyDRSITCWMYKMUMS-UHFFFAOYSA-N
XLogP5.28
TPSA121.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine with MolForge

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Related Compounds

6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-methoxyphenyl)quinoline-4,6-diamine
CID 22643255
6-methoxy-2-(3-methoxyphenyl)quinolin-4-amine
CID 69239758
6-N-[2-amino-6-(3-fluorophenyl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)phenyl]quinoline-4,6-diamine
CID 22643185
6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-fluorophenyl)quinoline-4,6-diamine
CID 22643181
6-N-[2-amino-6-(3-fluorophenyl)pyrimidin-4-yl]-2-pentylquinoline-4,6-diamine
CID 22643252
6-N-[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-2-(4-chlorophenyl)quinoline-4,6-diamine
CID 22643157
6-N-[4-[2-amino-6-(3-bromophenyl)pyrimidin-4-yl]phenyl]-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 71493670
6-N-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4-N-benzyl-2-phenylquinoline-4,6-diamine
CID 22643193
6-acetamido-2-(3-methoxyphenyl)quinoline-4-carboxylic acid
CID 18073446
4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359610
4-N-tert-butyl-6-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 90189713
4-N-[(3,4-dimethoxyphenyl)methyl]-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 176550125

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine?
The IUPAC name of 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine (CID 22643261) is 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine.
What is the SMILES notation for 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine?
The canonical SMILES for 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine is COc1ccc(-c2cc(Nc3ccc4nc(-c5cccc(OC)c5)cc(N)c4c3)nc(N)n2)cc1.
What is the InChIKey of 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine?
The InChIKey is DRSITCWMYKMUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-34-19-9-6-16(7-10-19)25-15-26(33-27(29)32-25)30-18-8-11-23-21(13-18)22(28)14-24(31-23)17-4-3-5-20(12-17)35-2/h3-15H,1-2H3,(H2,28,31)(H3,29,30,32,33).
What are the key properties of 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine?
6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine has a molecular weight of 464.53 g/mol, XLogP of 5.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]-2-(3-methoxyphenyl)quinoline-4,6-diamine is sourced from PubChem (CID 22643261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).