2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine

C21H22N6 — CID 56649402

IUPAC2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nccc(N(C)c3ccc4cn(C)nc4c3)n2)c1
InChIInChI=1S/C21H22N6/c1-14-9-15(2)11-17(10-14)23-21-22-8-7-20(24-21)27(4)18-6-5-16-13-26(3)25-19(16)12-18/h5-13H,1-4H3,(H,22,23,24)
InChIKeyUMSWUMVMJPEGIQ-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.49
Rot. Bonds4

About 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine

2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine (PubChem CID 56649402) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
PubChem CID56649402
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nccc(N(C)c3ccc4cn(C)nc4c3)n2)c1
InChIInChI=1S/C21H22N6/c1-14-9-15(2)11-17(10-14)23-21-22-8-7-20(24-21)27(4)18-6-5-16-13-26(3)25-19(16)12-18/h5-13H,1-4H3,(H,22,23,24)
InChIKeyUMSWUMVMJPEGIQ-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 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine (CID 56649402) is 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2nccc(N(C)c3ccc4cn(C)nc4c3)n2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
The InChIKey is UMSWUMVMJPEGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-14-9-15(2)11-17(10-14)23-21-22-8-7-20(24-21)27(4)18-6-5-16-13-26(3)25-19(16)12-18/h5-13H,1-4H3,(H,22,23,24).
What are the key properties of 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)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 2-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 56649402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).