3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol

C13H20N4OS — CID 3074012

IUPAC3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol
SMILESCC1=NN(c2cc(C)nc(SC(C)C)n2)C(C)(O)C1
InChIInChI=1S/C13H20N4OS/c1-8(2)19-12-14-9(3)6-11(15-12)17-13(5,18)7-10(4)16-17/h6,8,18H,7H2,1-5H3
InChIKeyXAMXUQFIVDTABX-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.58
Rot. Bonds3

About 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol

3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol (PubChem CID 3074012) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol
PubChem CID3074012
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol
SMILESCC1=NN(c2cc(C)nc(SC(C)C)n2)C(C)(O)C1
InChIInChI=1S/C13H20N4OS/c1-8(2)19-12-14-9(3)6-11(15-12)17-13(5,18)7-10(4)16-17/h6,8,18H,7H2,1-5H3
InChIKeyXAMXUQFIVDTABX-UHFFFAOYSA-N
XLogP2.58
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol?
The IUPAC name of 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol (CID 3074012) is 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol.
What is the SMILES notation for 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol?
The canonical SMILES for 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol is CC1=NN(c2cc(C)nc(SC(C)C)n2)C(C)(O)C1.
What is the InChIKey of 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol?
The InChIKey is XAMXUQFIVDTABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-8(2)19-12-14-9(3)6-11(15-12)17-13(5,18)7-10(4)16-17/h6,8,18H,7H2,1-5H3.
What are the key properties of 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol?
3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol has a molecular weight of 280.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol is sourced from PubChem (CID 3074012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).