2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one

C10H14N2O2 — CID 136997554

IUPAC2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N2O2/c1-6-5-8(13)12-10(11-6)9(14-2)7-3-4-7/h5,7,9H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyJRNZMWOTFGVYSU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.18
Rot. Bonds3

About 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one

2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136997554) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136997554
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(C)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N2O2/c1-6-5-8(13)12-10(11-6)9(14-2)7-3-4-7/h5,7,9H,3-4H2,1-2H3,(H,11,12,13)
InChIKeyJRNZMWOTFGVYSU-UHFFFAOYSA-N
XLogP1.18
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
CID 116705672
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997676
4-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997573
4-(chloromethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965156
4-(2-aminoethyl)-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965343
4-[(tert-butylamino)methyl]-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136965429
2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136997576
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
4-methyl-2-propan-2-yl-(2,4,5,6-13C4)1H-pyrimidin-6-one
CID 175903663
2-(1-methoxybutyl)-4-methyl-1H-pyrimidin-6-one
CID 136997551
2-(1-methoxypropan-2-yl)-4-methyl-1H-pyrimidin-6-one
CID 136930619
5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one (CID 136997554) is 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one is COC(c1nc(C)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is JRNZMWOTFGVYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-5-8(13)12-10(11-6)9(14-2)7-3-4-7/h5,7,9H,3-4H2,1-2H3,(H,11,12,13).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one?
2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 194.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136997554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).