2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine

C15H15F2N3S — CID 80962814

IUPAC2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(F)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C15H15F2N3S/c1-2-18-13-8-14(20-15(19-13)9-3-4-9)21-10-5-6-11(16)12(17)7-10/h5-9H,2-4H2,1H3,(H,18,19,20)
InChIKeyKDKLLVZUWNAGQX-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.22
Rot. Bonds5

About 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine

2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine (PubChem CID 80962814) has the molecular formula C15H15F2N3S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
PubChem CID80962814
Molecular FormulaC15H15F2N3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC Name2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2ccc(F)c(F)c2)nc(C2CC2)n1
InChIInChI=1S/C15H15F2N3S/c1-2-18-13-8-14(20-15(19-13)9-3-4-9)21-10-5-6-11(16)12(17)7-10/h5-9H,2-4H2,1H3,(H,18,19,20)
InChIKeyKDKLLVZUWNAGQX-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-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 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine (CID 80962814) is 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine is CCNc1cc(Sc2ccc(F)c(F)c2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine?
The InChIKey is KDKLLVZUWNAGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3S/c1-2-18-13-8-14(20-15(19-13)9-3-4-9)21-10-5-6-11(16)12(17)7-10/h5-9H,2-4H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine?
2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine has a molecular weight of 307.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80962814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).