4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

C13H10F2N4S — CID 103323324

IUPAC4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2c(F)cccc2F)c2ccsc2n1
InChIInChI=1S/C13H10F2N4S/c1-16-13-18-11(7-5-6-20-12(7)19-13)17-10-8(14)3-2-4-9(10)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyYZCKLAGYPBQHRN-UHFFFAOYSA-N
MW292.31 g/mol
LogP3.75
Rot. Bonds3

About 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine

4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (PubChem CID 103323324) has the molecular formula C13H10F2N4S and a molecular weight of 292.31 g/mol. Its IUPAC name is 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
PubChem CID103323324
Molecular FormulaC13H10F2N4S
Molecular Weight292.31 g/mol
Exact Mass292.06
IUPAC Name4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
SMILESCNc1nc(Nc2c(F)cccc2F)c2ccsc2n1
InChIInChI=1S/C13H10F2N4S/c1-16-13-18-11(7-5-6-20-12(7)19-13)17-10-8(14)3-2-4-9(10)15/h2-6H,1H3,(H2,16,17,18,19)
InChIKeyYZCKLAGYPBQHRN-UHFFFAOYSA-N
XLogP3.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-4-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103323372
4-N-(2-bromo-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323312
4-N-[(3-fluorophenyl)methyl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324466
4-N-(2-chloro-5-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531811
4-N-(2-chloro-4-fluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323136
4-N-(2-fluoro-6-methylphenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330619
4-N-(2-chloro-6-fluorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330623
4-(2,3-difluorophenoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103332516
4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330625
2-N-methyl-4-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324522
2-N-methyl-4-N-(1-phenylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324196
4-(3-fluorophenyl)sulfanyl-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103335232

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine (CID 103323324) is 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is CNc1nc(Nc2c(F)cccc2F)c2ccsc2n1.
What is the InChIKey of 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is YZCKLAGYPBQHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N4S/c1-16-13-18-11(7-5-6-20-12(7)19-13)17-10-8(14)3-2-4-9(10)15/h2-6H,1H3,(H2,16,17,18,19).
What are the key properties of 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine?
4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 292.31 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-difluorophenyl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 103323324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).