2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one

C9H10N4O2 — CID 1210988

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(O)cc(=O)[nH]2)n1
InChIInChI=1S/C9H10N4O2/c1-5-3-6(2)13(12-5)9-10-7(14)4-8(15)11-9/h3-4H,1-2H3,(H2,10,11,14,15)
InChIKeyMFVARYZQJVVKBQ-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.28
Rot. Bonds1

About 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one

2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 1210988) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID1210988
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(C)n(-c2nc(O)cc(=O)[nH]2)n1
InChIInChI=1S/C9H10N4O2/c1-5-3-6(2)13(12-5)9-10-7(14)4-8(15)11-9/h3-4H,1-2H3,(H2,10,11,14,15)
InChIKeyMFVARYZQJVVKBQ-UHFFFAOYSA-N
XLogP0.28
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one (CID 1210988) is 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one is Cc1cc(C)n(-c2nc(O)cc(=O)[nH]2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is MFVARYZQJVVKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-5-3-6(2)13(12-5)9-10-7(14)4-8(15)11-9/h3-4H,1-2H3,(H2,10,11,14,15).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one?
2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 206.20 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 1210988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).