4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

C21H22N6 — CID 54673093

IUPAC4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1
InChIInChI=1S/C21H22N6/c1-14-6-5-7-16(12-14)23-21-22-11-10-20(24-21)26(3)17-8-9-18-15(2)27(4)25-19(18)13-17/h5-13H,1-4H3,(H,22,23,24)
InChIKeyNMYRSMPXUDBLQZ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.49
Rot. Bonds4

About 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine

4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 54673093) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
PubChem CID54673093
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1
InChIInChI=1S/C21H22N6/c1-14-6-5-7-16(12-14)23-21-22-11-10-20(24-21)26(3)17-8-9-18-15(2)27(4)25-19(18)13-17/h5-13H,1-4H3,(H,22,23,24)
InChIKeyNMYRSMPXUDBLQZ-UHFFFAOYSA-N
XLogP4.49
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine (CID 54673093) is 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is Cc1cccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1.
What is the InChIKey of 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is NMYRSMPXUDBLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-14-6-5-7-16(12-14)23-21-22-11-10-20(24-21)26(3)17-8-9-18-15(2)27(4)25-19(18)13-17/h5-13H,1-4H3,(H,22,23,24).
What are the key properties of 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine?
4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 358.45 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylindazol-6-yl)-4-N-methyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 54673093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).