2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C14H11ClFN3S — CID 63617511

IUPAC2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)c(Cl)c2)nc2sc(C)cc12
InChIInChI=1S/C14H11ClFN3S/c1-7-5-9-13(17-2)18-12(19-14(9)20-7)8-3-4-11(16)10(15)6-8/h3-6H,1-2H3,(H,17,18,19)
InChIKeyWZUHJPIBCULFGG-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.50
Rot. Bonds2

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

2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 63617511) has the molecular formula C14H11ClFN3S and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID63617511
Molecular FormulaC14H11ClFN3S
Molecular Weight307.78 g/mol
Exact Mass307.03
IUPAC Name2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(-c2ccc(F)c(Cl)c2)nc2sc(C)cc12
InChIInChI=1S/C14H11ClFN3S/c1-7-5-9-13(17-2)18-12(19-14(9)20-7)8-3-4-11(16)10(15)6-8/h3-6H,1-2H3,(H,17,18,19)
InChIKeyWZUHJPIBCULFGG-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-fluoro-4-methylphenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 63617006
N,6-dimethyl-2-(1-methylpyrazol-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 65197779
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-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618711
N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 12820932
6-chloro-2-(4-fluoro-3-methylphenyl)-N-methylquinazolin-4-amine
CID 64981216
N-(3,5-dichlorophenyl)-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965124
3-(3-chloro-4-fluorophenyl)-N,5,6-trimethylpyrazin-2-amine
CID 113324801
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320354
2-(3-bromo-4-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 82800329
4-N-(2-chloro-6-fluorophenyl)-2-N,6-dimethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103330625

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 63617511) is 2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(-c2ccc(F)c(Cl)c2)nc2sc(C)cc12.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is WZUHJPIBCULFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFN3S/c1-7-5-9-13(17-2)18-12(19-14(9)20-7)8-3-4-11(16)10(15)6-8/h3-6H,1-2H3,(H,17,18,19).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 307.78 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 63617511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).