(4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate

C8H10N2O4 — CID 14493329

IUPAC(4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate
SMILESCOc1cc(=O)[nH]c(COC(C)=O)n1
InChIInChI=1S/C8H10N2O4/c1-5(11)14-4-6-9-7(12)3-8(10-6)13-2/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyMPGVCTJAIGLQPT-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.16
Rot. Bonds3

About (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate

(4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate (PubChem CID 14493329) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate.

Molecular Properties

Compound Name(4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate
PubChem CID14493329
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name(4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate
SMILESCOc1cc(=O)[nH]c(COC(C)=O)n1
InChIInChI=1S/C8H10N2O4/c1-5(11)14-4-6-9-7(12)3-8(10-6)13-2/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyMPGVCTJAIGLQPT-UHFFFAOYSA-N
XLogP-0.16
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Methoxymethyl)pyrimidine-4,6-diol
CID 53438120
methyl 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
CID 58103686
(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)methyl acetate
CID 58937973
2-(Ethoxymethyl)-6-hydroxy-3,4-dihydropyrimidin-4-one
CID 65668006
2-(diethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 135170966
6-amino-2-(ethoxymethyl)-4(3H)-pyrimidinone
CID 135456622
3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methoxy]propyl acetate
CID 178102923
4-hydroxy-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 63613772
4-Hydroxy-6-methoxypyrimidine-2-carboxylic acid
CID 105434337
4-hydroxy-2-(propan-2-yloxymethyl)-1H-pyrimidin-6-one
CID 133638791
4-amino-2-(propoxymethyl)-1H-pyrimidin-6-one
CID 135973717
4-amino-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136140585

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate?
The IUPAC name of (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate (CID 14493329) is (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate.
What is the SMILES notation for (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate?
The canonical SMILES for (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate is COc1cc(=O)[nH]c(COC(C)=O)n1.
What is the InChIKey of (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate?
The InChIKey is MPGVCTJAIGLQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(11)14-4-6-9-7(12)3-8(10-6)13-2/h3H,4H2,1-2H3,(H,9,10,12).
What are the key properties of (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate?
(4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate has a molecular weight of 198.18 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl acetate is sourced from PubChem (CID 14493329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).