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

C9H12N2O2 — CID 116705569

IUPAC2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nccc(=O)[nH]1)C1CC1
InChIInChI=1S/C9H12N2O2/c1-13-8(6-2-3-6)9-10-5-4-7(12)11-9/h4-6,8H,2-3H2,1H3,(H,10,11,12)
InChIKeyBXPVBZAOPIHABN-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.87
Rot. Bonds3

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

2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (PubChem CID 116705569) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
PubChem CID116705569
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
SMILESCOC(c1nccc(=O)[nH]1)C1CC1
InChIInChI=1S/C9H12N2O2/c1-13-8(6-2-3-6)9-10-5-4-7(12)11-9/h4-6,8H,2-3H2,1H3,(H,10,11,12)
InChIKeyBXPVBZAOPIHABN-UHFFFAOYSA-N
XLogP0.87
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 20689207
2-(Oxolan-2-yl)pyrimidin-4-ol
CID 65331461
2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
CID 10855682
2-(1-ethoxyethyl)-1H-pyrimidin-6-one
CID 64540254
2-(2-Methylcyclopropyl)-3,4-dihydropyrimidin-4-one
CID 65421462
2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82837620
2-[cyclopropyl(ethoxy)methyl]-5-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 114206254
2-[cyclopropyl(methoxy)methyl]-5-(propylaminomethyl)-1H-pyrimidin-6-one
CID 114206278
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705561
2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705562
2-(1-ethoxy-2,2-dimethylpropyl)-1H-pyrimidin-6-one
CID 116705563
2-(1-ethoxy-2-methylpropyl)-1H-pyrimidin-6-one
CID 116705565

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one (CID 116705569) is 2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one is COC(c1nccc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
The InChIKey is BXPVBZAOPIHABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-13-8(6-2-3-6)9-10-5-4-7(12)11-9/h4-6,8H,2-3H2,1H3,(H,10,11,12).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one?
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.87, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 116705569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).