2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

C13H12FN3S — CID 83191278

IUPAC2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCc1cc(-c2nc(N)c3c(n2)CSC3)ccc1F
InChIInChI=1S/C13H12FN3S/c1-7-4-8(2-3-10(7)14)13-16-11-6-18-5-9(11)12(15)17-13/h2-4H,5-6H2,1H3,(H2,15,16,17)
InChIKeyPVGVGZZPIURZGX-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.92
Rot. Bonds1

About 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine

2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (PubChem CID 83191278) has the molecular formula C13H12FN3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
PubChem CID83191278
Molecular FormulaC13H12FN3S
Molecular Weight261.32 g/mol
Exact Mass261.07
IUPAC Name2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
SMILESCc1cc(-c2nc(N)c3c(n2)CSC3)ccc1F
InChIInChI=1S/C13H12FN3S/c1-7-4-8(2-3-10(7)14)13-16-11-6-18-5-9(11)12(15)17-13/h2-4H,5-6H2,1H3,(H2,15,16,17)
InChIKeyPVGVGZZPIURZGX-UHFFFAOYSA-N
XLogP2.92
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine (CID 83191278) is 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is Cc1cc(-c2nc(N)c3c(n2)CSC3)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
The InChIKey is PVGVGZZPIURZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3S/c1-7-4-8(2-3-10(7)14)13-16-11-6-18-5-9(11)12(15)17-13/h2-4H,5-6H2,1H3,(H2,15,16,17).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine?
2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine has a molecular weight of 261.32 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 83191278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).