ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone

C10H16N2O2 — CID 145128595

IUPACethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
SMILESCC.COc1ncnc(C)c1C(C)=O
InChIInChI=1S/C8H10N2O2.C2H6/c1-5-7(6(2)11)8(12-3)10-4-9-5;1-2/h4H,1-3H3;1-2H3
InChIKeyBZRDHHWSUKULNW-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.02
Rot. Bonds2

About ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone

ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone (PubChem CID 145128595) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
PubChem CID145128595
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone
SMILESCC.COc1ncnc(C)c1C(C)=O
InChIInChI=1S/C8H10N2O2.C2H6/c1-5-7(6(2)11)8(12-3)10-4-9-5;1-2/h4H,1-3H3;1-2H3
InChIKeyBZRDHHWSUKULNW-UHFFFAOYSA-N
XLogP2.02
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2,4-dimethoxy-6-methylpyrimidine-5-carboxylate
CID 14222966
4-Ethoxy-6-(trifluoromethyl)pyrimidine-5-carbaldehyde
CID 17862878
4-Methoxy-6-trifluoromethyl-pyrimidine-5-carbaldehyde
CID 17862898
1-[4-(2,2-Difluorobutoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 126711019
1-[4-(2,2-Difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 154949232
Methyl 4,6-dimethylpyrimidine-5-carboxylate
CID 29949935
Methyl 4,6-bis(trideuteriomethyl)pyrimidine-5-carboxylate
CID 57925538
4-Methoxy-6-methylpyrimidine-5-carboxylic acid
CID 82413435
4-Cyclopropyl-6-methoxypyrimidine-5-carbaldehyde
CID 83482118
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
Methyl 4-cyclobutyloxy-6-methylpyrimidine-5-carboxylate
CID 144628075

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone?
The IUPAC name of ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone (CID 145128595) is ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone.
What is the SMILES notation for ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone?
The canonical SMILES for ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone is CC.COc1ncnc(C)c1C(C)=O.
What is the InChIKey of ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone?
The InChIKey is BZRDHHWSUKULNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.C2H6/c1-5-7(6(2)11)8(12-3)10-4-9-5;1-2/h4H,1-3H3;1-2H3.
What are the key properties of ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone?
ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone has a molecular weight of 196.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methoxy-6-methylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 145128595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).