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

C15H18N4O6 — CID 170343067

IUPAC5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone
SMILESCOc1nc[nH]c(=O)c1C(C)=O.COc1ncnc(OC)c1C(C)=O
InChIInChI=1S/C8H10N2O3.C7H8N2O3/c1-5(11)6-7(12-2)9-4-10-8(6)13-3;1-4(10)5-6(11)8-3-9-7(5)12-2/h4H,1-3H3;3H,1-2H3,(H,8,9,11)
InChIKeyHRSLAICYSAIBDX-UHFFFAOYSA-N
MW350.33 g/mol
LogP0.68
Rot. Bonds5

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

5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone (PubChem CID 170343067) has the molecular formula C15H18N4O6 and a molecular weight of 350.33 g/mol. Its IUPAC name is 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone
PubChem CID170343067
Molecular FormulaC15H18N4O6
Molecular Weight350.33 g/mol
Exact Mass350.12
IUPAC Name5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone
SMILESCOc1nc[nH]c(=O)c1C(C)=O.COc1ncnc(OC)c1C(C)=O
InChIInChI=1S/C8H10N2O3.C7H8N2O3/c1-5(11)6-7(12-2)9-4-10-8(6)13-3;1-4(10)5-6(11)8-3-9-7(5)12-2/h4H,1-3H3;3H,1-2H3,(H,8,9,11)
InChIKeyHRSLAICYSAIBDX-UHFFFAOYSA-N
XLogP0.68
TPSA133.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-(4,6-Dimethoxypyrimidin-5-yl)ethan-1-one
CID 535968
5-Acetyl-4-amino-6-methoxypyrimidine
CID 137797087
N-[1-(dimethylamino)ethyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 117976050
N-[(1R)-1-(dimethylamino)ethyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 117976932
N-[(dimethylamino)methyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 122667204
N-[1-(dimethylamino)ethenyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 141479633
4,6-dimethoxy-N-methylpyrimidine-5-carboxamide;N-methylmethanamine
CID 144810688
5-acetyl-2-tert-butyl-1H-pyrimidin-6-one;1-(2-tert-butyl-4-methoxypyrimidin-5-yl)ethanone
CID 161835940
5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
CID 167544580
N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide;hydrochloride
CID 119406241
N-(3-aminopropyl)-4,6-dimethoxypyrimidine-5-carboxamide
CID 119406242
4,6-dimethoxy-N-[3-(methylamino)propyl]pyrimidine-5-carboxamide;hydrochloride
CID 119431078

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone?
The IUPAC name of 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone (CID 170343067) is 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone.
What is the SMILES notation for 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone?
The canonical SMILES for 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone is COc1nc[nH]c(=O)c1C(C)=O.COc1ncnc(OC)c1C(C)=O.
What is the InChIKey of 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone?
The InChIKey is HRSLAICYSAIBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3.C7H8N2O3/c1-5(11)6-7(12-2)9-4-10-8(6)13-3;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-(4,6-dimethoxypyrimidin-5-yl)ethanone?
5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone has a molecular weight of 350.33 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-methoxy-1H-pyrimidin-6-one;1-(4,6-dimethoxypyrimidin-5-yl)ethanone is sourced from PubChem (CID 170343067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).