5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine

C24H28N6 — CID 158078403

IUPAC5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine
SMILESCc1c(N)nc(-n2nc(Cc3c(C)c(C)c(C)c(C)c3C)c3ccccc32)nc1N
InChIInChI=1S/C24H28N6/c1-12-13(2)15(4)19(16(5)14(12)3)11-20-18-9-7-8-10-21(18)30(29-20)24-27-22(25)17(6)23(26)28-24/h7-10H,11H2,1-6H3,(H4,25,26,27,28)
InChIKeyHULPHOHVUYLWEZ-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.42
Rot. Bonds3

About 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine

5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine (PubChem CID 158078403) has the molecular formula C24H28N6 and a molecular weight of 400.53 g/mol. Its IUPAC name is 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine
PubChem CID158078403
Molecular FormulaC24H28N6
Molecular Weight400.53 g/mol
Exact Mass400.24
IUPAC Name5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine
SMILESCc1c(N)nc(-n2nc(Cc3c(C)c(C)c(C)c(C)c3C)c3ccccc32)nc1N
InChIInChI=1S/C24H28N6/c1-12-13(2)15(4)19(16(5)14(12)3)11-20-18-9-7-8-10-21(18)30(29-20)24-27-22(25)17(6)23(26)28-24/h7-10H,11H2,1-6H3,(H4,25,26,27,28)
InChIKeyHULPHOHVUYLWEZ-UHFFFAOYSA-N
XLogP4.42
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine?
The IUPAC name of 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine (CID 158078403) is 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine is Cc1c(N)nc(-n2nc(Cc3c(C)c(C)c(C)c(C)c3C)c3ccccc32)nc1N.
What is the InChIKey of 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine?
The InChIKey is HULPHOHVUYLWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6/c1-12-13(2)15(4)19(16(5)14(12)3)11-20-18-9-7-8-10-21(18)30(29-20)24-27-22(25)17(6)23(26)28-24/h7-10H,11H2,1-6H3,(H4,25,26,27,28).
What are the key properties of 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine?
5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine has a molecular weight of 400.53 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[3-[(2,3,4,5,6-pentamethylphenyl)methyl]indazol-1-yl]pyrimidine-4,6-diamine is sourced from PubChem (CID 158078403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).