2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one

C8H12N2O2 — CID 151093895

IUPAC2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCOCc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-12-5-7-9-4-6(2)8(11)10-7/h4H,3,5H2,1-2H3,(H,9,10,11)
InChIKeyMMRVWKQLNDHBGY-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.61
Rot. Bonds3

About 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one

2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 151093895) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID151093895
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCOCc1ncc(C)c(=O)[nH]1
InChIInChI=1S/C8H12N2O2/c1-3-12-5-7-9-4-6(2)8(11)10-7/h4H,3,5H2,1-2H3,(H,9,10,11)
InChIKeyMMRVWKQLNDHBGY-UHFFFAOYSA-N
XLogP0.61
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Ethoxymethyl)-2-methylpyrimidin-4(3h)-one
CID 224568
5-(aminomethyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 103477020
5-(aminomethyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 103477021
4-amino-5-methyl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidin-6-one
CID 136890395
2-(Methoxymethyl)pyrimidin-4(1H)-one
CID 14306129
2-(Ethoxymethyl)pyrimidin-4-ol
CID 65667549
Ethyl 4-hydroxy-5-methylpyrimidine-2-carboxylate
CID 67444534
5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 69107840
2-(Methoxymethyl)-5-methylpyrimidin-4(3H)-one
CID 71351742
methyl 5-methyl-6-oxo-1H-pyrimidine-2-carboxylate
CID 130969162
2-(ethoxymethyl)-4,5-dimethyl-1H-pyrimidin-6-one
CID 136233876
2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 140930143

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one (CID 151093895) is 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one is CCOCc1ncc(C)c(=O)[nH]1.
What is the InChIKey of 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is MMRVWKQLNDHBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-3-12-5-7-9-4-6(2)8(11)10-7/h4H,3,5H2,1-2H3,(H,9,10,11).
What are the key properties of 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one?
2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 168.20 g/mol, XLogP of 0.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 151093895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).