4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine

C15H16N6OS — CID 19136044

IUPAC4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(Nc2nc3ccc(OC)cc3s2)c1N
InChIInChI=1S/C15H16N6OS/c1-3-6-17-13-12(16)14(19-8-18-13)21-15-20-10-5-4-9(22-2)7-11(10)23-15/h3-5,7-8H,1,6,16H2,2H3,(H2,17,18,19,20,21)
InChIKeyCKCYWAQYKFTCFD-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.02
Rot. Bonds6

About 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine

4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine (PubChem CID 19136044) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
PubChem CID19136044
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(Nc2nc3ccc(OC)cc3s2)c1N
InChIInChI=1S/C15H16N6OS/c1-3-6-17-13-12(16)14(19-8-18-13)21-15-20-10-5-4-9(22-2)7-11(10)23-15/h3-5,7-8H,1,6,16H2,2H3,(H2,17,18,19,20,21)
InChIKeyCKCYWAQYKFTCFD-UHFFFAOYSA-N
XLogP3.02
TPSA97.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine 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

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
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-(1-adamantyl)-6-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19143485
6-(4-chloro-3,5-dimethylphenoxy)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150825
6-imidazol-1-yl-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19150870
4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,6-diamine
CID 114561888
2-methylpropyl 4-[[5-amino-6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 19149511
6-N-ethyl-4-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135263
6-(2,3-dihydroindol-1-yl)-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 22543272
6-[4-(3-chlorophenyl)piperazin-1-yl]-4-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrimidine-4,5-diamine
CID 19139138

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine (CID 19136044) is 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine is C=CCNc1ncnc(Nc2nc3ccc(OC)cc3s2)c1N.
What is the InChIKey of 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The InChIKey is CKCYWAQYKFTCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-3-6-17-13-12(16)14(19-8-18-13)21-15-20-10-5-4-9(22-2)7-11(10)23-15/h3-5,7-8H,1,6,16H2,2H3,(H2,17,18,19,20,21).
What are the key properties of 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine has a molecular weight of 328.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19136044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).