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

C10H14N2O3 — CID 116705664

IUPAC2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N2O3/c1-2-15-9(6-3-4-6)10-11-7(13)5-8(14)12-10/h5-6,9H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyFNQPXZTYCSTJME-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.96
Rot. Bonds4

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

2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 116705664) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID116705664
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESCCOC(c1nc(O)cc(=O)[nH]1)C1CC1
InChIInChI=1S/C10H14N2O3/c1-2-15-9(6-3-4-6)10-11-7(13)5-8(14)12-10/h5-6,9H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyFNQPXZTYCSTJME-UHFFFAOYSA-N
XLogP0.96
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxyethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 64540875
4-hydroxy-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 65331574
4-hydroxy-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 80166106
4-hydroxy-2-(5-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 82838313
2-[cyclopropyl(ethoxy)methyl]-5-ethyl-4-hydroxy-1H-pyrimidin-6-one
CID 113554612
2-[cyclopropyl(methoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 113554616
2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidin-6-one
CID 116705561
2-[cyclopropyl(methoxy)methyl]-1H-pyrimidin-6-one
CID 116705569
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
2-(1-ethoxy-2,2-dimethylpropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705666
2-(2-ethoxypropan-2-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705667
2-(1-ethoxy-2-methylpropyl)-4-hydroxy-1H-pyrimidin-6-one
CID 116705668

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 116705664) is 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one is CCOC(c1nc(O)cc(=O)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is FNQPXZTYCSTJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-15-9(6-3-4-6)10-11-7(13)5-8(14)12-10/h5-6,9H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one?
2-[cyclopropyl(ethoxy)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 210.23 g/mol, XLogP of 0.96, 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-1H-pyrimidin-6-one is sourced from PubChem (CID 116705664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).