2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one

C7H10N2O2 — CID 10855682

IUPAC2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
SMILESCO[C@H](C)c1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-5(11-2)7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10)/t5-/m1/s1
InChIKeyBDESDKTYVGABEB-RXMQYKEDSA-N
MW154.17 g/mol
LogP0.48
Rot. Bonds2

About 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one

2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one (PubChem CID 10855682) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
PubChem CID10855682
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one
SMILESCO[C@H](C)c1nccc(=O)[nH]1
InChIInChI=1S/C7H10N2O2/c1-5(11-2)7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10)/t5-/m1/s1
InChIKeyBDESDKTYVGABEB-RXMQYKEDSA-N
XLogP0.48
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-2-(1-Butyryloxy-ethyl)-3H-pyrimidin-4-one
CID 10910803
2-(1-hydroxyethyl)pyrimidin-4(3H)-one
CID 11018949
(R)-2-(1-Acetoxy-ethyl)-3H-pyrimidin-4-one
CID 11105982
2-(Methoxymethyl)pyrimidin-4(1H)-one
CID 14306129
2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 20689207
5-methoxy-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 22166922
2-(1-hydroxyethyl)-1H-pyrimidin-6-one;hydrochloride
CID 22328614
1-(6-oxo-1H-pyrimidin-2-yl)ethyl acetate
CID 22328641
1-(6-oxo-1H-pyrimidin-2-yl)ethyl butanoate
CID 22328645
(R)-2-(1-Hydroxyethyl)pyrimidin-4(1H)-one
CID 45080107
(S)-2-(1-Hydroxyethyl)pyrimidin-4(1H)-one
CID 45080108
1-(s)-(4-Hydroxy-pyrimidin-2-yl)-ethyl butyrate
CID 54317907

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one (CID 10855682) is 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one is CO[C@H](C)c1nccc(=O)[nH]1.
What is the InChIKey of 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one?
The InChIKey is BDESDKTYVGABEB-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(11-2)7-8-4-3-6(10)9-7/h3-5H,1-2H3,(H,8,9,10)/t5-/m1/s1.
What are the key properties of 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one?
2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one has a molecular weight of 154.17 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-methoxyethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 10855682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).