6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione

C11H14N4O2 — CID 659637

IUPAC6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(C)n(-c2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-8(2)15(12-7)9-6-10(16)14(4)11(17)13(9)3/h5-6H,1-4H3
InChIKeyQQXDXTIOCQBAMM-UHFFFAOYSA-N
MW234.26 g/mol
LogP-0.11
Rot. Bonds1

About 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione

6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 659637) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID659637
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1cc(C)n(-c2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C11H14N4O2/c1-7-5-8(2)15(12-7)9-6-10(16)14(4)11(17)13(9)3/h5-6H,1-4H3
InChIKeyQQXDXTIOCQBAMM-UHFFFAOYSA-N
XLogP-0.11
TPSA61.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
2-Pyrrolidinone, 1-(1-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-
CID 3073529
6-(3,5-dimethyl-1H-pyrazol-1-yl)-2,4(1H,3H)-pyrimidinedione
CID 6459543
2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxo-4-propylpyrimidin-1(6H)-yl)acetamide
CID 7588298
6-Amino-2-(3,5-dimethylpyrazolyl)-3-hydropyrimidin-4-one
CID 135515373
N,N,5-trimethyl-3-(trifluoromethyl)pyrazole-1-carboxamide
CID 90998747
2-(3,5-Dimethylpyrazol-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 72708850
3,6-Dimethyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4(3h)-one
CID 129764392
6-chloro-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluoro-1H-pyrimidine-2,4-dione
CID 114542407
1-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-2-pyrrolidinone
CID 1219936
2-[2-(3,5-Dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]acetamide
CID 16835841
3,5-dimethyl-N-(2-methylprop-2-enoyl)pyrazole-1-carboxamide
CID 57595867

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione (CID 659637) is 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione is Cc1cc(C)n(-c2cc(=O)n(C)c(=O)n2C)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is QQXDXTIOCQBAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7-5-8(2)15(12-7)9-6-10(16)14(4)11(17)13(9)3/h5-6H,1-4H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione?
6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 234.26 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 659637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).