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

C10H12FN3S — CID 123924390

IUPAC4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine
SMILESCc1cc(C)c(C2N=C(N)N=CC2F)s1
InChIInChI=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)
InChIKeyQCSCAZLFYQTQTG-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.14
Rot. Bonds1

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 Name4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine
PubChem CID123924390
Molecular FormulaC10H12FN3S
Molecular Weight225.29 g/mol
Exact Mass225.07
IUPAC Name4-(3,5-dimethylthiophen-2-yl)-5-fluoro-4,5-dihydropyrimidin-2-amine
SMILESCc1cc(C)c(C2N=C(N)N=CC2F)s1
InChIInChI=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)
InChIKeyQCSCAZLFYQTQTG-UHFFFAOYSA-N
XLogP2.14
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).