5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

C10H12N4O2 — CID 137429744

IUPAC5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(-c2ccn(C)n2)[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-6-8(16-3)10(15)12-9(11-6)7-4-5-14(2)13-7/h4-5H,1-3H3,(H,11,12,15)
InChIKeyFMJQNKJMAMZWMJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.49
Rot. Bonds2

About 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one

5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (PubChem CID 137429744) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
PubChem CID137429744
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one
SMILESCOc1c(C)nc(-c2ccn(C)n2)[nH]c1=O
InChIInChI=1S/C10H12N4O2/c1-6-8(16-3)10(15)12-9(11-6)7-4-5-14(2)13-7/h4-5H,1-3H3,(H,11,12,15)
InChIKeyFMJQNKJMAMZWMJ-UHFFFAOYSA-N
XLogP0.49
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one (CID 137429744) is 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is COc1c(C)nc(-c2ccn(C)n2)[nH]c1=O.
What is the InChIKey of 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
The InChIKey is FMJQNKJMAMZWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-8(16-3)10(15)12-9(11-6)7-4-5-14(2)13-7/h4-5H,1-3H3,(H,11,12,15).
What are the key properties of 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one?
5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one has a molecular weight of 220.23 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-methyl-2-(1-methylpyrazol-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137429744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).