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

C12H7ClFN3S — CID 2538570

IUPACN-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2sccc12
InChIInChI=1S/C12H7ClFN3S/c13-8-2-1-3-9(10(8)14)17-11-7-4-5-18-12(7)16-6-15-11/h1-6H,(H,15,16,17)
InChIKeyJEKPUGGFHXHDJC-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.23
Rot. Bonds2

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

N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2538570) has the molecular formula C12H7ClFN3S and a molecular weight of 279.73 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2538570
Molecular FormulaC12H7ClFN3S
Molecular Weight279.73 g/mol
Exact Mass279.00
IUPAC NameN-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESFc1c(Cl)cccc1Nc1ncnc2sccc12
InChIInChI=1S/C12H7ClFN3S/c13-8-2-1-3-9(10(8)14)17-11-7-4-5-18-12(7)16-6-15-11/h1-6H,(H,15,16,17)
InChIKeyJEKPUGGFHXHDJC-UHFFFAOYSA-N
XLogP4.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8934299
N-(3-chloro-2-fluorophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 166538319
N-(2-fluoro-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 9441357
(1R)-1-(2-chloro-6-fluorophenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 9108169
N-[4-(3-chloro-2-fluoroanilino)-7-fluoroquinazolin-6-yl]hydroxylamine
CID 130227832
N-(4-chloro-2-methoxy-5-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2402575
N-(3-chloro-2-fluorophenyl)-[1,3]dioxolo[4,5-g]quinazolin-8-amine
CID 138513770
1-N-cyclohexyl-2-N-thieno[2,3-d]pyrimidin-4-ylbenzene-1,2-diamine
CID 68791212
N-[3-fluoro-2-(oxolan-3-yloxy)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 59360037
3-fluoro-4-(thieno[2,3-d]pyrimidin-4-ylamino)benzoic acid
CID 63187651
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
CID 80755029
4-N-(2-bromo-3-chlorophenyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103481983

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 2538570) is N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Fc1c(Cl)cccc1Nc1ncnc2sccc12.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JEKPUGGFHXHDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3S/c13-8-2-1-3-9(10(8)14)17-11-7-4-5-18-12(7)16-6-15-11/h1-6H,(H,15,16,17).
What are the key properties of N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.73 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2538570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).