2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H14FN3S — CID 63617006

IUPAC2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2F)nc2sc(C)cc12
InChIInChI=1S/C15H14FN3S/c1-8-4-5-10(12(16)6-8)14-18-13(17-3)11-7-9(2)20-15(11)19-14/h4-7H,1-3H3,(H,17,18,19)
InChIKeyQOXNMPVETNHZQY-UHFFFAOYSA-N
MW287.36 g/mol
LogP4.16
Rot. Bonds2

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

2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63617006) has the molecular formula C15H14FN3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63617006
Molecular FormulaC15H14FN3S
Molecular Weight287.36 g/mol
Exact Mass287.09
IUPAC Name2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(C)cc2F)nc2sc(C)cc12
InChIInChI=1S/C15H14FN3S/c1-8-4-5-10(12(16)6-8)14-18-13(17-3)11-7-9(2)20-15(11)19-14/h4-7H,1-3H3,(H,17,18,19)
InChIKeyQOXNMPVETNHZQY-UHFFFAOYSA-N
XLogP4.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 107281374
N,6-dimethyl-2-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 55248382
2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63617511
2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907051
[2-(4-fluoro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 81278265
N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 12820932
2-(4-chloro-2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616667
N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63617005
2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618711
6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 81274014
2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907043
N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 65197779

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 63617006) is 2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(-c2ccc(C)cc2F)nc2sc(C)cc12.
What is the InChIKey of 2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QOXNMPVETNHZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3S/c1-8-4-5-10(12(16)6-8)14-18-13(17-3)11-7-9(2)20-15(11)19-14/h4-7H,1-3H3,(H,17,18,19).
What are the key properties of 2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 287.36 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63617006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).