4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

C15H15BrN4S — CID 103327759

IUPAC4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(C)c(Br)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H15BrN4S/c1-8-4-5-10(7-12(8)16)18-13-11-6-9(2)21-14(11)20-15(17-3)19-13/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyLTAVYRVHOJPOCT-UHFFFAOYSA-N
MW363.28 g/mol
LogP4.86
Rot. Bonds3

About 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103327759) has the molecular formula C15H15BrN4S and a molecular weight of 363.28 g/mol. Its IUPAC name is 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103327759
Molecular FormulaC15H15BrN4S
Molecular Weight363.28 g/mol
Exact Mass362.02
IUPAC Name4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2ccc(C)c(Br)c2)c2cc(C)sc2n1
InChIInChI=1S/C15H15BrN4S/c1-8-4-5-10(7-12(8)16)18-13-11-6-9(2)21-14(11)20-15(17-3)19-13/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyLTAVYRVHOJPOCT-UHFFFAOYSA-N
XLogP4.86
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.28
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334159
4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323316
4-N-(2-bromo-3-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329297
4-N-(4-bromo-2-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323386
4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330619
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
6-N-(3-bromo-4-methylphenyl)-2-N-methyl-7H-purine-2,6-diamine
CID 114785186
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330803
4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330625
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
2-N,6-dimethyl-4-N-pentan-3-ylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324125

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103327759) is 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2ccc(C)c(Br)c2)c2cc(C)sc2n1.
What is the InChIKey of 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is LTAVYRVHOJPOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4S/c1-8-4-5-10(7-12(8)16)18-13-11-6-9(2)21-14(11)20-15(17-3)19-13/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 363.28 g/mol, XLogP of 4.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103327759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).