5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine

C20H20N6O2S — CID 67121432

IUPAC5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESCN(c1cccc(CS(C)(=O)=O)c1)c1nc(N)ncc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C20H20N6O2S/c1-26(16-5-3-4-13(8-16)12-29(2,27)28)19-17(11-22-20(21)24-19)14-6-7-15-10-23-25-18(15)9-14/h3-11H,12H2,1-2H3,(H,23,25)(H2,21,22,24)
InChIKeySKBFIQDRQUERHH-UHFFFAOYSA-N
MW408.49 g/mol
LogP2.91
Rot. Bonds5

About 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine

5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 67121432) has the molecular formula C20H20N6O2S and a molecular weight of 408.49 g/mol. Its IUPAC name is 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID67121432
Molecular FormulaC20H20N6O2S
Molecular Weight408.49 g/mol
Exact Mass408.14
IUPAC Name5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine
SMILESCN(c1cccc(CS(C)(=O)=O)c1)c1nc(N)ncc1-c1ccc2cn[nH]c2c1
InChIInChI=1S/C20H20N6O2S/c1-26(16-5-3-4-13(8-16)12-29(2,27)28)19-17(11-22-20(21)24-19)14-6-7-15-10-23-25-18(15)9-14/h3-11H,12H2,1-2H3,(H,23,25)(H2,21,22,24)
InChIKeySKBFIQDRQUERHH-UHFFFAOYSA-N
XLogP2.91
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydron;5-(1H-indazol-6-yl)pyrimidine-2,4-diamine;chloride
CID 69058745
5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 69028684
N-[3-(5-amino-1H-pyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
CID 117419923
5-(1H-indazol-6-yl)-3,4-dimethylpyridine-2-carboxamide
CID 175755900
4-(1H-indazol-6-yl)-2-phenylmethoxyphenol
CID 142654170
6-(1H-indazol-6-yl)pyrimidin-4-amine
CID 127263726
N-(3-hydroxyphenyl)-N-methyl-1H-indazole-6-carboxamide
CID 107735897
1H-indazole-6-sulfonyl fluoride
CID 71925828
5-[2-(3-ethylphenyl)-3-pyridinyl]-1H-indazole
CID 90095205
N-(1H-indazol-6-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 61276176
6-[(2-amino-5-fluoropyrimidin-4-yl)-(1H-indazol-6-yl)amino]-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 87336217
1-(4-bromo-1-methylcyclohexa-2,4-dien-1-yl)sulfonyl-2-(1H-indazol-6-yl)pyrrolo[2,3-b]pyridine
CID 141257539

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine (CID 67121432) is 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine is CN(c1cccc(CS(C)(=O)=O)c1)c1nc(N)ncc1-c1ccc2cn[nH]c2c1.
What is the InChIKey of 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is SKBFIQDRQUERHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2S/c1-26(16-5-3-4-13(8-16)12-29(2,27)28)19-17(11-22-20(21)24-19)14-6-7-15-10-23-25-18(15)9-14/h3-11H,12H2,1-2H3,(H,23,25)(H2,21,22,24).
What are the key properties of 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine?
5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 408.49 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-6-yl)-4-N-methyl-4-N-[3-(methylsulfonylmethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67121432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).