2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C14H13ClFN3S — CID 83191212

IUPAC2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Cl)c(F)c2)nc2c1CSC2
InChIInChI=1S/C14H13ClFN3S/c1-2-17-14-9-6-20-7-12(9)18-13(19-14)8-3-4-10(15)11(16)5-8/h3-5H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyAFHJECILYUKNSW-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.11
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191212) has the molecular formula C14H13ClFN3S and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191212
Molecular FormulaC14H13ClFN3S
Molecular Weight309.80 g/mol
Exact Mass309.05
IUPAC Name2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(Cl)c(F)c2)nc2c1CSC2
InChIInChI=1S/C14H13ClFN3S/c1-2-17-14-9-6-20-7-12(9)18-13(19-14)8-3-4-10(15)11(16)5-8/h3-5H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyAFHJECILYUKNSW-UHFFFAOYSA-N
XLogP4.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-3-fluorophenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472729
N-ethyl-2-(4-methoxy-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193245
2-(3-fluoro-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193280
2-(3-bromo-4-chlorophenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83193253
5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66297874
N-ethyl-2-(furan-3-yl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190672
2-(3-chloro-4-fluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485428
2-(3-fluoro-4-methoxyphenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83200666
[2-(3-fluoro-4-methoxyphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]hydrazine
CID 83201198
2-(2,6-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83191211
2-(2,5-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190692
2-(2,4-dimethylphenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190902

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191212) is 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is CCNc1nc(-c2ccc(Cl)c(F)c2)nc2c1CSC2.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is AFHJECILYUKNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN3S/c1-2-17-14-9-6-20-7-12(9)18-13(19-14)8-3-4-10(15)11(16)5-8/h3-5H,2,6-7H2,1H3,(H,17,18,19).
What are the key properties of 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 309.80 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-N-ethyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).