2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

C10H14N2O3 — CID 116705683

IUPAC2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(C)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N2O3/c1-5-9(13)11-8(12-10(5)14)7(15-2)6-3-4-6/h6-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyYAWRLBVASHQLOM-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.88
Rot. Bonds3

About 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one

2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 116705683) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID116705683
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCOC(c1nc(O)c(C)c(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N2O3/c1-5-9(13)11-8(12-10(5)14)7(15-2)6-3-4-6/h6-7H,3-4H2,1-2H3,(H2,11,12,13,14)
InChIKeyYAWRLBVASHQLOM-UHFFFAOYSA-N
XLogP0.88
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl(methoxy)methyl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136997704
6-Hydroxy-5-methyl-2-(2-methylcyclopropyl)pyrimidin-4(3H)-one
CID 10171286
2-(cyclopropylmethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 69036279
4-hydroxy-2-(methoxymethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611277
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(1-ethoxyethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 64541089
4-hydroxy-5-methyl-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331575
4-hydroxy-2-(oxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 65331632
4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 79617113
5-ethyl-4-hydroxy-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 79617114
4-hydroxy-2-(1-methoxyethyl)-5-propyl-1H-pyrimidin-6-one
CID 79617234
4-hydroxy-2-(1-methoxyethyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 79617235

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 116705683) is 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is COC(c1nc(O)c(C)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is YAWRLBVASHQLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-5-9(13)11-8(12-10(5)14)7(15-2)6-3-4-6/h6-7H,3-4H2,1-2H3,(H2,11,12,13,14).
What are the key properties of 2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 210.23 g/mol, XLogP of 0.88, 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-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).