4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine

C10H12FN5S — CID 80889333

IUPAC4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cc(C)nn2C)n1
InChIInChI=1S/C10H12FN5S/c1-6-4-8(16(3)15-6)17-9-7(11)5-13-10(12-2)14-9/h4-5H,1-3H3,(H,12,13,14)
InChIKeyRVZSMMRAKACZAP-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.85
Rot. Bonds3

About 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 80889333) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID80889333
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(F)c(Sc2cc(C)nn2C)n1
InChIInChI=1S/C10H12FN5S/c1-6-4-8(16(3)15-6)17-9-7(11)5-13-10(12-2)14-9/h4-5H,1-3H3,(H,12,13,14)
InChIKeyRVZSMMRAKACZAP-UHFFFAOYSA-N
XLogP1.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(Ethylthio)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
CID 606613
Cambridge id 5373447
CID 2238103
Isobutyl 5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl sulfide
CID 743368
1,2,4-Triazolo[1,5-a]pyrimidine, 7-(2-fluoroethylthio)-5-methyl-
CID 605736
5-Methyl-7-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 19826865
2-[3-(Trifluoromethyl)-1H-pyrazole-1-yl]-4-[(5-methyl-1,3,4-thiadiazole-2-yl)thio]-6-methylpyrimidine
CID 11394228
4-Methyl-6-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 21030357
4-Methyl-6-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 21030358
5-Methyl-4-methylthio-2-[3-(trifluoromethyl)-1h-pyrazol-1-yl]pyrimidine
CID 21267750
2-(3-Fluoropyrazol-1-yl)-4-methyl-6-propylsulfonylpyrimidine
CID 57806043
2-(3-Fluoropyrazol-1-yl)-4-methyl-6-pyrimidin-2-ylsulfanylpyrimidine
CID 57806052
4-Methyl-6-propylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 70985899

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine (CID 80889333) is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine is CNc1ncc(F)c(Sc2cc(C)nn2C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is RVZSMMRAKACZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c1-6-4-8(16(3)15-6)17-9-7(11)5-13-10(12-2)14-9/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine?
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 253.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80889333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).