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

C9H14N2O3 — CID 135441719

IUPAC4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCOCc1nc(CO)[nH]c(=O)c1C
InChIInChI=1S/C9H14N2O3/c1-3-14-5-7-6(2)9(13)11-8(4-12)10-7/h12H,3-5H2,1-2H3,(H,10,11,13)
InChIKeySXDAHUARABRWIL-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.11
Rot. Bonds4

About 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one

4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 135441719) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID135441719
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one
SMILESCCOCc1nc(CO)[nH]c(=O)c1C
InChIInChI=1S/C9H14N2O3/c1-3-14-5-7-6(2)9(13)11-8(4-12)10-7/h12H,3-5H2,1-2H3,(H,10,11,13)
InChIKeySXDAHUARABRWIL-UHFFFAOYSA-N
XLogP0.11
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one (CID 135441719) is 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one is CCOCc1nc(CO)[nH]c(=O)c1C.
What is the InChIKey of 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is SXDAHUARABRWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-3-14-5-7-6(2)9(13)11-8(4-12)10-7/h12H,3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one?
4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 198.22 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethoxymethyl)-2-(hydroxymethyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135441719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).