5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one

C8H10N2O3 — CID 167558743

IUPAC5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1ncc(C(C)=O)c(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-5(11)6-3-9-7(4-13-2)10-8(6)12/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyLJLJXYCCUKURBP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.12
Rot. Bonds3

About 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one

5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 167558743) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID167558743
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1ncc(C(C)=O)c(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-5(11)6-3-9-7(4-13-2)10-8(6)12/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyLJLJXYCCUKURBP-UHFFFAOYSA-N
XLogP0.12
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Acetyl-2-methylpyrimidin-4(3H)-one
CID 12194767
5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 69107840
2-(Methoxymethyl)-5-methylpyrimidin-4(3H)-one
CID 71351742
2-(ethoxymethyl)-5-methyl-1H-pyrimidin-6-one
CID 151093895
5-(aminomethyl)-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 104189973
5-(aminomethyl)-2-(ethoxymethyl)-1H-pyrimidin-6-one
CID 104189995
5-(aminomethyl)-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 104189998
N-(2-methoxyethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110849279
5-(aminomethyl)-2-(1-methoxypropyl)-1H-pyrimidin-6-one
CID 116734539
4-amino-5-ethyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136077625
4-amino-2-(ethoxymethyl)-5-ethyl-1H-pyrimidin-6-one
CID 136233923
4-amino-5-ethyl-2-(1-methoxyethyl)-1H-pyrimidin-6-one
CID 136283823

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 167558743) is 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1ncc(C(C)=O)c(=O)[nH]1.
What is the InChIKey of 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is LJLJXYCCUKURBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5(11)6-3-9-7(4-13-2)10-8(6)12/h3H,4H2,1-2H3,(H,9,10,12).
What are the key properties of 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one?
5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 182.18 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 167558743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).