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

C15H13N7OS — CID 19150870

IUPAC6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
SMILESCOc1ccc2nc(Nc3ncnc(-n4ccnc4)c3N)sc2c1
InChIInChI=1S/C15H13N7OS/c1-23-9-2-3-10-11(6-9)24-15(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)
InChIKeyXITWFGYTUGGNJK-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.61
Rot. Bonds4

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

6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine (PubChem CID 19150870) has the molecular formula C15H13N7OS and a molecular weight of 339.38 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
PubChem CID19150870
Molecular FormulaC15H13N7OS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC Name6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
SMILESCOc1ccc2nc(Nc3ncnc(-n4ccnc4)c3N)sc2c1
InChIInChI=1S/C15H13N7OS/c1-23-9-2-3-10-11(6-9)24-15(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)
InChIKeyXITWFGYTUGGNJK-UHFFFAOYSA-N
XLogP2.61
TPSA103.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-imidazol-1-yl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150162
6-chloro-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 23477564
6-N-(2,5-dimethoxyphenyl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19142735
6-(2,3-dihydroindol-1-yl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 22543272
4-N-(1-adamantyl)-6-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19143485
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541931
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148258
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 19136044
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19139138
N-(6-imidazol-1-yl-5-nitropyrimidin-4-yl)-6-methyl-1,3-benzothiazol-2-amine
CID 22534507
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150825
4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,6-diamine
CID 114561888

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine (CID 19150870) is 6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine is COc1ccc2nc(Nc3ncnc(-n4ccnc4)c3N)sc2c1.
What is the InChIKey of 6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
The InChIKey is XITWFGYTUGGNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7OS/c1-23-9-2-3-10-11(6-9)24-15(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-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine?
6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine has a molecular weight of 339.38 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19150870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).