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

C10H12N4O — CID 43654657

IUPAC2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nn(C)c(C)c1-c1nccc(=O)[nH]1
InChIInChI=1S/C10H12N4O/c1-6-9(7(2)14(3)13-6)10-11-5-4-8(15)12-10/h4-5H,1-3H3,(H,11,12,15)
InChIKeyCXDFYFHWSQHNBV-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.79
Rot. Bonds1

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

2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 43654657) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID43654657
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCc1nn(C)c(C)c1-c1nccc(=O)[nH]1
InChIInChI=1S/C10H12N4O/c1-6-9(7(2)14(3)13-6)10-11-5-4-8(15)12-10/h4-5H,1-3H3,(H,11,12,15)
InChIKeyCXDFYFHWSQHNBV-UHFFFAOYSA-N
XLogP0.79
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 43654657) is 2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one is Cc1nn(C)c(C)c1-c1nccc(=O)[nH]1.
What is the InChIKey of 2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is CXDFYFHWSQHNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-6-9(7(2)14(3)13-6)10-11-5-4-8(15)12-10/h4-5H,1-3H3,(H,11,12,15).
What are the key properties of 2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 204.23 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 43654657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).