6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine

C14H15F2N3S — CID 80990085

IUPAC6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H15F2N3S/c1-4-12-18-13(17-3)8(2)14(19-12)20-9-5-6-10(15)11(16)7-9/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyCIVGHTZFJKHLMZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP3.82
Rot. Bonds4

About 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine

6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80990085) has the molecular formula C14H15F2N3S and a molecular weight of 295.36 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80990085
Molecular FormulaC14H15F2N3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Sc2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H15F2N3S/c1-4-12-18-13(17-3)8(2)14(19-12)20-9-5-6-10(15)11(16)7-9/h5-7H,4H2,1-3H3,(H,17,18,19)
InChIKeyCIVGHTZFJKHLMZ-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991285
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
[6-(3,4-difluorophenyl)sulfanyl-2,5-dimethylpyrimidin-4-yl]hydrazine
CID 80925558
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102927033
2-ethyl-N,5-dimethyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80995265
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine
CID 80990351
N,2-diethyl-6-(2-fluorophenyl)sulfanyl-5-methylpyrimidin-4-amine
CID 80991094
[2-ethyl-5-methyl-6-(4-propan-2-ylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81000228
6-(3,4-difluorophenyl)sulfanyl-N,5-diethylpyrimidin-4-amine
CID 80887870
4-chloro-6-(2,5-dichlorophenyl)sulfanyl-2-ethyl-5-methylpyrimidine
CID 80978191
6-(4-bromo-2-fluorophenoxy)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80988091

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80990085) is 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(Sc2ccc(F)c(F)c2)n1.
What is the InChIKey of 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is CIVGHTZFJKHLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3S/c1-4-12-18-13(17-3)8(2)14(19-12)20-9-5-6-10(15)11(16)7-9/h5-7H,4H2,1-3H3,(H,17,18,19).
What are the key properties of 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 295.36 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80990085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).