6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one

C9H10N4O — CID 106515852

IUPAC6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cnn(C)c2)nc(=O)[nH]1
InChIInChI=1S/C9H10N4O/c1-6-3-8(12-9(14)11-6)7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,12,14)
InChIKeyUYMIIBBAALMKMB-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.48
Rot. Bonds1

About 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one

6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one (PubChem CID 106515852) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
PubChem CID106515852
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one
SMILESCc1cc(-c2cnn(C)c2)nc(=O)[nH]1
InChIInChI=1S/C9H10N4O/c1-6-3-8(12-9(14)11-6)7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,12,14)
InChIKeyUYMIIBBAALMKMB-UHFFFAOYSA-N
XLogP0.48
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one (CID 106515852) is 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one is Cc1cc(-c2cnn(C)c2)nc(=O)[nH]1.
What is the InChIKey of 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
The InChIKey is UYMIIBBAALMKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6-3-8(12-9(14)11-6)7-4-10-13(2)5-7/h3-5H,1-2H3,(H,11,12,14).
What are the key properties of 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one?
6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one has a molecular weight of 190.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 106515852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).