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

C15H15FN4S — CID 103330619

IUPAC4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2c(C)cccc2F)c2cc(C)sc2n1
InChIInChI=1S/C15H15FN4S/c1-8-5-4-6-11(16)12(8)18-13-10-7-9(2)21-14(10)20-15(17-3)19-13/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyKIHFWYNKBNAHRE-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.23
Rot. Bonds3

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

4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103330619) has the molecular formula C15H15FN4S and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103330619
Molecular FormulaC15H15FN4S
Molecular Weight302.38 g/mol
Exact Mass302.10
IUPAC Name4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2c(C)cccc2F)c2cc(C)sc2n1
InChIInChI=1S/C15H15FN4S/c1-8-5-4-6-11(16)12(8)18-13-10-7-9(2)21-14(10)20-15(17-3)19-13/h4-7H,1-3H3,(H2,17,18,19,20)
InChIKeyKIHFWYNKBNAHRE-UHFFFAOYSA-N
XLogP4.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330625
4-N-(2-bromo-3-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329297
4-N-(2-bromo-4-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323316
4-N-(4-bromo-2-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323386
4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323324
4-N-(3-bromo-4-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103327759
2-N,6-dimethyl-4-N-(oxan-4-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103325220
4-N-cyclopropyl-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324095
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
3-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]cyclobutan-1-ol
CID 103328691
N-(5-fluoro-2-methylphenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334873
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330803

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103330619) is 4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2c(C)cccc2F)c2cc(C)sc2n1.
What is the InChIKey of 4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is KIHFWYNKBNAHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4S/c1-8-5-4-6-11(16)12(8)18-13-10-7-9(2)21-14(10)20-15(17-3)19-13/h4-7H,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 302.38 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103330619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).