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

C15H13N7S — CID 19150162

IUPAC6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2nc(Nc3ncnc(-n4ccnc4)c3N)sc2c1
InChIInChI=1S/C15H13N7S/c1-9-2-3-10-11(6-9)23-15(20-10)21-13-12(16)14(19-7-18-13)22-5-4-17-8-22/h2-8H,16H2,1H3,(H,18,19,20,21)
InChIKeyAKINXDFAWUOWDK-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.91
Rot. Bonds3

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

6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine (PubChem CID 19150162) has the molecular formula C15H13N7S and a molecular weight of 323.39 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
PubChem CID19150162
Molecular FormulaC15H13N7S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC Name6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
SMILESCc1ccc2nc(Nc3ncnc(-n4ccnc4)c3N)sc2c1
InChIInChI=1S/C15H13N7S/c1-9-2-3-10-11(6-9)23-15(20-10)21-13-12(16)14(19-7-18-13)22-5-4-17-8-22/h2-8H,16H2,1H3,(H,18,19,20,21)
InChIKeyAKINXDFAWUOWDK-UHFFFAOYSA-N
XLogP2.91
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150870
N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 22534507
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-N-(4-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22545208
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19150126
6-N-ethyl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135263
6-(benzotriazol-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150164
6-(2-tert-butylhydrazinyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150109
6-(2-ethylpiperidin-1-yl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19140494
6-N-(4-butylphenyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 22540079
4-N-benzhydryl-6-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19150075
4-N-(6-methyl-1,3-benzothiazol-2-yl)-6-(4-methylphenyl)sulfanylpyrimidine-4,5-diamine
CID 19149887
4-N-cyclohexyl-6-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135845

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine (CID 19150162) is 6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine is Cc1ccc2nc(Nc3ncnc(-n4ccnc4)c3N)sc2c1.
What is the InChIKey of 6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The InChIKey is AKINXDFAWUOWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7S/c1-9-2-3-10-11(6-9)23-15(20-10)21-13-12(16)14(19-7-18-13)22-5-4-17-8-22/h2-8H,16H2,1H3,(H,18,19,20,21).
What are the key properties of 6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine has a molecular weight of 323.39 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19150162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).