4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine

C₁₀H₁₂FN₃S — CID 123924390

About 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine

4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine (PubChem CID 123924390) has the molecular formula C₁₀H₁₂FN₃S and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine.

Molecular Properties

• Compound Name: 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine
• PubChem CID: 123924390
• Molecular Formula: C₁₀H₁₂FN₃S
• Molecular Weight: 225.29 g/mol
• Exact Mass: 225.07
• IUPAC Name: 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine
• SMILES: Cc1cc(C)c(C2N=C(N)N=CC2F)s1
• InChI: InChI=1S/C10H12FN3S/c1-5-3-6(2)15-9(5)8-7(11)4-13-10(12)14-8/h3-4,7-8H,1-2H3,(H2,12,14)
• InChIKey: QCSCAZLFYQTQTG-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 50.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 1
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	225.29
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine?

The IUPAC name of 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine (CID 123924390) is 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine.

What is the SMILES notation for 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine?

The canonical SMILES for 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine is Cc1cc(C)c(C2N=C(N)N=CC2F)s1.

What is the InChIKey of 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine?

The InChIKey is QCSCAZLFYQTQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3S/c1-5-3-6(2)15-9(5)8-7(11)4-13-10(12)14-8/h3-4,7-8H,1-2H3,(H2,12,14).

What are the key properties of 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine?

4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine has a molecular weight of 225.29 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 123924390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123924390 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.