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

C11H15N5S — CID 80889068

IUPAC4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Sc2cc(C)nn2C)n1
InChIInChI=1S/C11H15N5S/c1-7-6-13-11(12-3)14-10(7)17-9-5-8(2)15-16(9)4/h5-6H,1-4H3,(H,12,13,14)
InChIKeyZDTBGWNGBSJSCN-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.02
Rot. Bonds3

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

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine (PubChem CID 80889068) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
PubChem CID80889068
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
SMILESCNc1ncc(C)c(Sc2cc(C)nn2C)n1
InChIInChI=1S/C11H15N5S/c1-7-6-13-11(12-3)14-10(7)17-9-5-8(2)15-16(9)4/h5-6H,1-4H3,(H,12,13,14)
InChIKeyZDTBGWNGBSJSCN-UHFFFAOYSA-N
XLogP2.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.02
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
US11214565, Example D-46
CID 135374812
Cambridge id 5373447
CID 2238103
US11214565, Example D-47
CID 135374424
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
5-Methyl-4-methylsulfonyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 11381217
4-Methyl-6-methylsulfanyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidine
CID 21030357
5-Methyl-4-methylthio-2-[3-(trifluoromethyl)-1h-pyrazol-1-yl]pyrimidine
CID 21267750
2-(3-Fluoropyrazol-1-yl)-4-methyl-6-pyrimidin-2-ylsulfanylpyrimidine
CID 57806052
2-[3-(Trifluoromethyl)-1H-pyrazole-1-yl]-4-[(pyrimidine-2-yl)thio]-6-methylpyrimidine
CID 70986050

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine (CID 80889068) is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine is CNc1ncc(C)c(Sc2cc(C)nn2C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine?
The InChIKey is ZDTBGWNGBSJSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-7-6-13-11(12-3)14-10(7)17-9-5-8(2)15-16(9)4/h5-6H,1-4H3,(H,12,13,14).
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine?
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine has a molecular weight of 249.34 g/mol, XLogP of 2.02, 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-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 80889068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).