2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C12H9ClFN3S — CID 59708433

IUPAC2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2nc(Cl)nc3c2SCC3)c1
InChIInChI=1S/C12H9ClFN3S/c13-12-16-9-4-5-18-10(9)11(17-12)15-8-3-1-2-7(14)6-8/h1-3,6H,4-5H2,(H,15,16,17)
InChIKeyPPEZIAWPWUWRCM-UHFFFAOYSA-N
MW281.74 g/mol
LogP3.66
Rot. Bonds2

About 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 59708433) has the molecular formula C12H9ClFN3S and a molecular weight of 281.74 g/mol. Its IUPAC name is 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID59708433
Molecular FormulaC12H9ClFN3S
Molecular Weight281.74 g/mol
Exact Mass281.02
IUPAC Name2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESFc1cccc(Nc2nc(Cl)nc3c2SCC3)c1
InChIInChI=1S/C12H9ClFN3S/c13-12-16-9-4-5-18-10(9)11(17-12)15-8-3-1-2-7(14)6-8/h1-3,6H,4-5H2,(H,15,16,17)
InChIKeyPPEZIAWPWUWRCM-UHFFFAOYSA-N
XLogP3.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 59708433) is 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is Fc1cccc(Nc2nc(Cl)nc3c2SCC3)c1.
What is the InChIKey of 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is PPEZIAWPWUWRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFN3S/c13-12-16-9-4-5-18-10(9)11(17-12)15-8-3-1-2-7(14)6-8/h1-3,6H,4-5H2,(H,15,16,17).
What are the key properties of 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 281.74 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-fluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 59708433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).