5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

C20H20N6 — CID 69028684

IUPAC5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(N)ncc2-c2ccc3cn[nH]c3c2)c(C)c1
InChIInChI=1S/C20H20N6/c1-11-6-12(2)18(13(3)7-11)24-19-16(10-22-20(21)25-19)14-4-5-15-9-23-26-17(15)8-14/h4-10H,1-3H3,(H,23,26)(H3,21,22,24,25)
InChIKeyNUCMQICIHZLICX-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.27
Rot. Bonds3

About 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 69028684) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
PubChem CID69028684
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC Name5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(N)ncc2-c2ccc3cn[nH]c3c2)c(C)c1
InChIInChI=1S/C20H20N6/c1-11-6-12(2)18(13(3)7-11)24-19-16(10-22-20(21)25-19)14-4-5-15-9-23-26-17(15)8-14/h4-10H,1-3H3,(H,23,26)(H3,21,22,24,25)
InChIKeyNUCMQICIHZLICX-UHFFFAOYSA-N
XLogP4.27
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (CID 69028684) is 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is Cc1cc(C)c(Nc2nc(N)ncc2-c2ccc3cn[nH]c3c2)c(C)c1.
What is the InChIKey of 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is NUCMQICIHZLICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-11-6-12(2)18(13(3)7-11)24-19-16(10-22-20(21)25-19)14-4-5-15-9-23-26-17(15)8-14/h4-10H,1-3H3,(H,23,26)(H3,21,22,24,25).
What are the key properties of 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 344.42 g/mol, XLogP of 4.27, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69028684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).