4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine

C13H14FN3S — CID 80893618

IUPAC4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C13H14FN3S/c1-8-4-5-9(2)11(6-8)18-12-10(14)7-16-13(15-3)17-12/h4-7H,1-3H3,(H,15,16,17)
InChIKeyVAZXIIGWQGTAJU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.43
Rot. Bonds3

About 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine

4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80893618) has the molecular formula C13H14FN3S and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80893618
Molecular FormulaC13H14FN3S
Molecular Weight263.34 g/mol
Exact Mass263.09
IUPAC Name4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cc(C)ccc2C)n1
InChIInChI=1S/C13H14FN3S/c1-8-4-5-9(2)11(6-8)18-12-10(14)7-16-13(15-3)17-12/h4-7H,1-3H3,(H,15,16,17)
InChIKeyVAZXIIGWQGTAJU-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-(4-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80883253
5-fluoro-4-(1H-indol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80890508
4-[(3-chloro-2-pyridinyl)sulfanyl]-5-fluoro-N-methylpyrimidin-2-amine
CID 80891170
4-tert-butylsulfanyl-5-fluoro-N-methylpyrimidin-2-amine
CID 80886788
6-(2,5-dimethylphenyl)sulfanyl-N-methylpyridin-2-amine
CID 80893702
4-(3-chloro-4-methylphenyl)-5-fluoro-N-methylpyrimidin-2-amine
CID 113324753
5-bromo-4-(2-fluorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884178
3-[5-fluoro-2-(methylamino)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 80891867
5-bromo-4-(2,5-dichlorophenyl)sulfanyl-N-methylpyrimidin-2-amine
CID 80884261
5-bromo-4-(2-fluoro-5-methylphenoxy)-N-methylpyrimidin-2-amine
CID 80877608
2-N,4-N-bis(2,5-dimethylphenyl)-5-fluoropyrimidine-2,4-diamine
CID 802949
3-bromo-5-chloro-2-(2,5-dimethylphenyl)sulfanylpyridine
CID 114837931

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine (CID 80893618) is 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Sc2cc(C)ccc2C)n1.
What is the InChIKey of 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is VAZXIIGWQGTAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3S/c1-8-4-5-9(2)11(6-8)18-12-10(14)7-16-13(15-3)17-12/h4-7H,1-3H3,(H,15,16,17).
What are the key properties of 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 263.34 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80893618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).