5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

C20H19N5S — CID 69029634

IUPAC5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(N)ncc2-c2ccc3ncsc3c2)c(C)c1
InChIInChI=1S/C20H19N5S/c1-11-6-12(2)18(13(3)7-11)24-19-15(9-22-20(21)25-19)14-4-5-16-17(8-14)26-10-23-16/h4-10H,1-3H3,(H3,21,22,24,25)
InChIKeyFBJJATZLTNUGTM-UHFFFAOYSA-N
MW361.47 g/mol
LogP5.00
Rot. Bonds3

About 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine

5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 69029634) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
PubChem CID69029634
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)c(Nc2nc(N)ncc2-c2ccc3ncsc3c2)c(C)c1
InChIInChI=1S/C20H19N5S/c1-11-6-12(2)18(13(3)7-11)24-19-15(9-22-20(21)25-19)14-4-5-16-17(8-14)26-10-23-16/h4-10H,1-3H3,(H3,21,22,24,25)
InChIKeyFBJJATZLTNUGTM-UHFFFAOYSA-N
XLogP5.00
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)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

5-(6-chloro-3-pyridinyl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 87664229
5-(1H-indazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine
CID 69028684
2-N-(1,3-benzothiazol-6-yl)-3-methylpyridine-2,5-diamine
CID 107802776
5-(1,3-benzothiazol-6-yl)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-amine
CID 122510821
5-(3-bromo-4-methylphenyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 67217810
azane;5-quinolin-6-yl-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 69028906
5-(1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
CID 137423686
4-(1,3-benzothiazol-6-yl)-5-methyl-N-pyridin-2-ylpyrimidin-2-amine
CID 175570054
4-N-(4-bromo-2,6-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 80847198
6-(4-methoxyphenyl)-1,3-benzothiazole
CID 91124365
azane;5-(6-chloro-3-pyridinyl)-4-(2,4,6-trimethylphenyl)pyrimidin-2-amine
CID 87999920
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 1,3-benzothiazole-6-carboxylate
CID 2597185

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine (CID 69029634) is 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is Cc1cc(C)c(Nc2nc(N)ncc2-c2ccc3ncsc3c2)c(C)c1.
What is the InChIKey of 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is FBJJATZLTNUGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-11-6-12(2)18(13(3)7-11)24-19-15(9-22-20(21)25-19)14-4-5-16-17(8-14)26-10-23-16/h4-10H,1-3H3,(H3,21,22,24,25).
What are the key properties of 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine?
5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 361.47 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-6-yl)-4-N-(2,4,6-trimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69029634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).