2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine

C23H24N6O2 — CID 71232363

IUPAC2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cc(C)nn3-c3cccc(C)c3)n2)cc1OC
InChIInChI=1S/C23H24N6O2/c1-15-6-5-7-18(12-15)29-22(13-16(2)28-29)26-21-10-11-24-23(27-21)25-17-8-9-19(30-3)20(14-17)31-4/h5-14H,1-4H3,(H2,24,25,26,27)
InChIKeyCWXRZEAAUUOLKG-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.78
Rot. Bonds7

About 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine

2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine (PubChem CID 71232363) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine
PubChem CID71232363
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3cc(C)nn3-c3cccc(C)c3)n2)cc1OC
InChIInChI=1S/C23H24N6O2/c1-15-6-5-7-18(12-15)29-22(13-16(2)28-29)26-21-10-11-24-23(27-21)25-17-8-9-19(30-3)20(14-17)31-4/h5-14H,1-4H3,(H2,24,25,26,27)
InChIKeyCWXRZEAAUUOLKG-UHFFFAOYSA-N
XLogP4.78
TPSA86.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-4-N-(5-methyl-2-phenylpyrazol-3-yl)pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 53476776
2-N-(3,4-dimethoxyphenyl)-4-N-(4,5-dimethyl-2-pyridin-3-ylpyrazol-3-yl)pyrimidine-2,4-diamine
CID 71225028
4-N-[(3,4-dimethoxyphenyl)methyl]-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112897214
2-N-(3-chlorophenyl)-4-N-(3,4-dimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903721
4-N-[2-(4-methoxyphenyl)-5-methylpyrazol-3-yl]-2-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 53476545
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
2-N-(3,4-dimethoxyphenyl)-4-N-[1-(4-methoxyphenyl)-4-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidine-2,4-diamine
CID 53476086
2-(3-chlorophenyl)-N-(3-fluoro-4-methoxyphenyl)-5-methylpyrazol-3-amine
CID 110452762
2-N-(3-chloro-4-methoxyphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112904304
N-(3-methoxyphenyl)-4-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyridin-2-amine
CID 142168296
4-N-(3,4-dimethoxyphenyl)-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112903113
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine (CID 71232363) is 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine is COc1ccc(Nc2nccc(Nc3cc(C)nn3-c3cccc(C)c3)n2)cc1OC.
What is the InChIKey of 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine?
The InChIKey is CWXRZEAAUUOLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-15-6-5-7-18(12-15)29-22(13-16(2)28-29)26-21-10-11-24-23(27-21)25-17-8-9-19(30-3)20(14-17)31-4/h5-14H,1-4H3,(H2,24,25,26,27).
What are the key properties of 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine?
2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine has a molecular weight of 416.49 g/mol, XLogP of 4.78, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,4-dimethoxyphenyl)-4-N-[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71232363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).