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

C15H13F2N3S — CID 79516498

IUPAC2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(-c3c(F)cccc3F)nc2s1
InChIInChI=1S/C15H13F2N3S/c1-3-8-7-9-13(18-2)19-14(20-15(9)21-8)12-10(16)5-4-6-11(12)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyACHIMYOTSCRWLV-UHFFFAOYSA-N
MW305.35 g/mol
LogP4.24
Rot. Bonds3

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

2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 79516498) has the molecular formula C15H13F2N3S and a molecular weight of 305.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID79516498
Molecular FormulaC15H13F2N3S
Molecular Weight305.35 g/mol
Exact Mass305.08
IUPAC Name2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC)nc(-c3c(F)cccc3F)nc2s1
InChIInChI=1S/C15H13F2N3S/c1-3-8-7-9-13(18-2)19-14(20-15(9)21-8)12-10(16)5-4-6-11(12)17/h4-7H,3H2,1-2H3,(H,18,19,20)
InChIKeyACHIMYOTSCRWLV-UHFFFAOYSA-N
XLogP4.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-bromo-6-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 114887695
6-ethyl-N-methyl-2-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 63616457
6-ethyl-2-(4-fluoro-2-methylphenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 81274014
6-ethyl-2-[(2-fluorophenyl)methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 63614306
6-ethyl-N-methyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63616459
2-(2,6-difluorophenyl)-6-ethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889445
6-ethyl-N-methyl-2-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63614643
6-chloro-2-(2,6-difluorophenyl)-N-methylquinazolin-4-amine
CID 64981014
6-ethyl-N-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63615784
N,6-diethyl-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615787
[6-ethyl-2-(furan-2-yl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63614035
N,6-diethyl-2-(2-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 63615625

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine (CID 79516498) is 2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC)nc(-c3c(F)cccc3F)nc2s1.
What is the InChIKey of 2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ACHIMYOTSCRWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3S/c1-3-8-7-9-13(18-2)19-14(20-15(9)21-8)12-10(16)5-4-6-11(12)17/h4-7H,3H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine?
2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 79516498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).