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

C9H10N4O2 — CID 6459543

IUPAC6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)n(-c2cc(=O)[nH]c(=O)[nH]2)n1
InChIInChI=1S/C9H10N4O2/c1-5-3-6(2)13(12-5)7-4-8(14)11-9(15)10-7/h3-4H,1-2H3,(H2,10,11,14,15)
InChIKeySQCUZZQJVWBKED-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.13
Rot. Bonds1

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

6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 6459543) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID6459543
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione
SMILESCc1cc(C)n(-c2cc(=O)[nH]c(=O)[nH]2)n1
InChIInChI=1S/C9H10N4O2/c1-5-3-6(2)13(12-5)7-4-8(14)11-9(15)10-7/h3-4H,1-2H3,(H2,10,11,14,15)
InChIKeySQCUZZQJVWBKED-UHFFFAOYSA-N
XLogP-0.13
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione (CID 6459543) is 6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione is Cc1cc(C)n(-c2cc(=O)[nH]c(=O)[nH]2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is SQCUZZQJVWBKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-3-6(2)13(12-5)7-4-8(14)11-9(15)10-7/h3-4H,1-2H3,(H2,10,11,14,15).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione?
6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 206.20 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 6459543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).