5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone

C15H18N4O5 — CID 167544580

IUPAC5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
SMILESCOc1nc[nH]c(=O)c1C(C)=O.COc1ncnc(C)c1C(C)=O
InChIInChI=1S/C8H10N2O2.C7H8N2O3/c1-5-7(6(2)11)8(12-3)10-4-9-5;1-4(10)5-6(11)8-3-9-7(5)12-2/h4H,1-3H3;3H,1-2H3,(H,8,9,11)
InChIKeyBPVADONUNNLVIN-UHFFFAOYSA-N
MW334.33 g/mol
LogP0.98
Rot. Bonds4

About 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone

5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone (PubChem CID 167544580) has the molecular formula C15H18N4O5 and a molecular weight of 334.33 g/mol. Its IUPAC name is 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
PubChem CID167544580
Molecular FormulaC15H18N4O5
Molecular Weight334.33 g/mol
Exact Mass334.13
IUPAC Name5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
SMILESCOc1nc[nH]c(=O)c1C(C)=O.COc1ncnc(C)c1C(C)=O
InChIInChI=1S/C8H10N2O2.C7H8N2O3/c1-5-7(6(2)11)8(12-3)10-4-9-5;1-4(10)5-6(11)8-3-9-7(5)12-2/h4H,1-3H3;3H,1-2H3,(H,8,9,11)
InChIKeyBPVADONUNNLVIN-UHFFFAOYSA-N
XLogP0.98
TPSA124.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,7-Dimethylpyrano[2,3-d]pyrimidin-5-one
CID 117960309
(E)-3-(dimethylamino)-1-(4-methoxy-6-methylpyrimidin-5-yl)prop-2-en-1-one
CID 134427632
Ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
CID 145128595
5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone
CID 170343067
1-(4-Methoxy-6-methylpyrimidin-5-yl)ethanone
CID 82652516
1-(4-Ethyl-6-methoxypyrimidin-5-yl)ethanone
CID 82654252
1-(4-Methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone
CID 82656977
1-(4-Methoxy-6-methylpyrimidin-5-yl)-2-(methylamino)ethanone
CID 82657250
3-Amino-1-(4-methoxy-6-methylpyrimidin-5-yl)propan-1-one
CID 82657255
2-Amino-1-(4-ethyl-6-methoxypyrimidin-5-yl)ethanone
CID 82657270
1-(2,4-Dimethoxy-6-methylpyrimidin-5-yl)ethanone
CID 82657589

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone?
The IUPAC name of 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone (CID 167544580) is 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone?
The canonical SMILES for 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone is COc1nc[nH]c(=O)c1C(C)=O.COc1ncnc(C)c1C(C)=O.
What is the InChIKey of 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone?
The InChIKey is BPVADONUNNLVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C7H8N2O3/c1-5-7(6(2)11)8(12-3)10-4-9-5;1-4(10)5-6(11)8-3-9-7(5)12-2/h4H,1-3H3;3H,1-2H3,(H,8,9,11).
What are the key properties of 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone?
5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone has a molecular weight of 334.33 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 167544580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).