4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine

C11H9F2N3S — CID 112724397

IUPAC4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine
SMILESCc1cc(Sc2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C11H9F2N3S/c1-6-4-10(16-11(14)15-6)17-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyFKIVJYKEWNTDSJ-UHFFFAOYSA-N
MW253.28 g/mol
LogP2.80
Rot. Bonds2

About 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine

4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine (PubChem CID 112724397) has the molecular formula C11H9F2N3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine
PubChem CID112724397
Molecular FormulaC11H9F2N3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine
SMILESCc1cc(Sc2ccc(F)c(F)c2)nc(N)n1
InChIInChI=1S/C11H9F2N3S/c1-6-4-10(16-11(14)15-6)17-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16)
InChIKeyFKIVJYKEWNTDSJ-UHFFFAOYSA-N
XLogP2.80
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine (CID 112724397) is 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine is Cc1cc(Sc2ccc(F)c(F)c2)nc(N)n1.
What is the InChIKey of 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine?
The InChIKey is FKIVJYKEWNTDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3S/c1-6-4-10(16-11(14)15-6)17-7-2-3-8(12)9(13)5-7/h2-5H,1H3,(H2,14,15,16).
What are the key properties of 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine?
4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine has a molecular weight of 253.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)sulfanyl-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112724397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).