3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one

C12H16N4O2 — CID 79375195

IUPAC3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCCn1cc(Cn2c(OC)nc(C)cc2=O)cn1
InChIInChI=1S/C12H16N4O2/c1-4-15-7-10(6-13-15)8-16-11(17)5-9(2)14-12(16)18-3/h5-7H,4,8H2,1-3H3
InChIKeyMDPBSMPLVZTQPY-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.83
Rot. Bonds4

About 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one

3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 79375195) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID79375195
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCCn1cc(Cn2c(OC)nc(C)cc2=O)cn1
InChIInChI=1S/C12H16N4O2/c1-4-15-7-10(6-13-15)8-16-11(17)5-9(2)14-12(16)18-3/h5-7H,4,8H2,1-3H3
InChIKeyMDPBSMPLVZTQPY-UHFFFAOYSA-N
XLogP0.83
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-6-methyl-3-[(4-trimethylsilylphenyl)methyl]pyrimidin-4-one
CID 103438566
3-[(3-bromophenyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374323
3-[(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)methyl]benzonitrile
CID 79367415
2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetonitrile
CID 79367231
methyl 3-[(1-ethylpyrazol-4-yl)methyl]-2-methylimidazole-4-carboxylate
CID 65171502
3-[(6-amino-2-pyridinyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374827
3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 79366215
3-[(4-amino-2-fluorophenyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79366210
ethyl 5-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)-4-oxopentanoate
CID 103484799
N-carbamoyl-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375686
1-(2,6-dimethyl-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107503308
3-[2-(3-ethoxypropylamino)ethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374487

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one (CID 79375195) is 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one is CCn1cc(Cn2c(OC)nc(C)cc2=O)cn1.
What is the InChIKey of 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is MDPBSMPLVZTQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-4-15-7-10(6-13-15)8-16-11(17)5-9(2)14-12(16)18-3/h5-7H,4,8H2,1-3H3.
What are the key properties of 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 248.29 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrazol-4-yl)methyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 79375195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).