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

C9H12N2O3 — CID 116705672

IUPAC2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C9H12N2O3/c1-14-8(5-2-3-5)9-10-6(12)4-7(13)11-9/h4-5,8H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyWZSRWGQTQOCAMX-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.57
Rot. Bonds3

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

2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705672) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705672
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C9H12N2O3/c1-14-8(5-2-3-5)9-10-6(12)4-7(13)11-9/h4-5,8H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyWZSRWGQTQOCAMX-UHFFFAOYSA-N
XLogP0.57
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methoxy)methyl]-4-methyl-1H-pyrimidin-6-one
CID 136997554
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-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136997576
5-bromo-4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 136997852
2-[cyclopropyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 116728169
4-cyclopentyl-2-[cyclopropyl(methoxy)methyl]-5-iodo-1H-pyrimidin-6-one
CID 136997924
2-[cyclopropyl(ethoxy)methyl]-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136965445

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 116705672) is 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one is COC(c1nc(O)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is WZSRWGQTQOCAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-14-8(5-2-3-5)9-10-6(12)4-7(13)11-9/h4-5,8H,2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 196.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 116705672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).