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

C16H16FN3S — CID 81274014

IUPAC6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(-c3ccc(F)cc3C)nc2s1
InChIInChI=1S/C16H16FN3S/c1-4-11-8-13-14(18-3)19-15(20-16(13)21-11)12-6-5-10(17)7-9(12)2/h5-8H,4H2,1-3H3,(H,18,19,20)
InChIKeyWXEQSSPBNLHUQL-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.41
Rot. Bonds3

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

6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 81274014) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID81274014
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(-c3ccc(F)cc3C)nc2s1
InChIInChI=1S/C16H16FN3S/c1-4-11-8-13-14(18-3)19-15(20-16(13)21-11)12-6-5-10(17)7-9(12)2/h5-8H,4H2,1-3H3,(H,18,19,20)
InChIKeyWXEQSSPBNLHUQL-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 79516498
[2-(4-fluoro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 81278265
2-(2-bromo-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 107281374
6-ethyl-N-methyl-2-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 63616457
N,6-diethyl-2-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615625
6-ethyl-N-methyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63616459
4-chloro-2-(2,5-difluorophenyl)-6-ethylthieno[2,3-d]pyrimidine
CID 63663426
2-(2,4-dimethylphenyl)-7-fluoro-N-methylquinazolin-4-amine
CID 64981496
6-ethyl-2-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63614306
N,6-dimethyl-2-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 55248382
2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63617006
6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63615784

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 81274014) is 6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC)nc(-c3ccc(F)cc3C)nc2s1.
What is the InChIKey of 6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WXEQSSPBNLHUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-4-11-8-13-14(18-3)19-15(20-16(13)21-11)12-6-5-10(17)7-9(12)2/h5-8H,4H2,1-3H3,(H,18,19,20).
What are the key properties of 6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 301.39 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 81274014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).