4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine

C22H24N6 — CID 54672929

IUPAC4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1
InChIInChI=1S/C22H24N6/c1-14-10-15(2)12-17(11-14)24-22-23-9-8-21(25-22)27(4)18-6-7-19-16(3)28(5)26-20(19)13-18/h6-13H,1-5H3,(H,23,24,25)
InChIKeyVQQRGHOPEJXFCR-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.80
Rot. Bonds4

About 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine

4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 54672929) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID54672929
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1
InChIInChI=1S/C22H24N6/c1-14-10-15(2)12-17(11-14)24-22-23-9-8-21(25-22)27(4)18-6-7-19-16(3)28(5)26-20(19)13-18/h6-13H,1-5H3,(H,23,24,25)
InChIKeyVQQRGHOPEJXFCR-UHFFFAOYSA-N
XLogP4.80
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.80
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)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine (CID 54672929) is 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1.
What is the InChIKey of 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is VQQRGHOPEJXFCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-14-10-15(2)12-17(11-14)24-22-23-9-8-21(25-22)27(4)18-6-7-19-16(3)28(5)26-20(19)13-18/h6-13H,1-5H3,(H,23,24,25).
What are the key properties of 4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine?
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 372.48 g/mol, XLogP of 4.80, 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)-2-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 54672929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).