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

C11H16N2O3 — CID 116705676

IUPAC2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(C)c(=O)[nH]1)C1CC1
InChIInChI=1S/C11H16N2O3/c1-3-16-8(7-4-5-7)9-12-10(14)6(2)11(15)13-9/h7-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyKXWHFGLKEVCCAO-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.27
Rot. Bonds4

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

2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (PubChem CID 116705676) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
PubChem CID116705676
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)c(C)c(=O)[nH]1)C1CC1
InChIInChI=1S/C11H16N2O3/c1-3-16-8(7-4-5-7)9-12-10(14)6(2)11(15)13-9/h7-8H,3-5H2,1-2H3,(H2,12,13,14,15)
InChIKeyKXWHFGLKEVCCAO-UHFFFAOYSA-N
XLogP1.27
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-5-propan-2-yl-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63611442
2-(1-ethoxyethyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 64540876
2-(1-ethoxyethyl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 64540877
2-(1-ethoxyethyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 64540878
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
2-(ethoxymethyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 65668235
4-hydroxy-2-(1-methoxyethyl)-5-methyl-1H-pyrimidin-6-one
CID 79617113
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
4-hydroxy-2-(5-methyloxolan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 82836726

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one (CID 116705676) is 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is CCOC(c1nc(O)c(C)c(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
The InChIKey is KXWHFGLKEVCCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-3-16-8(7-4-5-7)9-12-10(14)6(2)11(15)13-9/h7-8H,3-5H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 116705676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).