1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone

C10H14N2O2 — CID 82656977

IUPAC1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone
SMILESCOc1ncnc(C(C)C)c1C(C)=O
InChIInChI=1S/C10H14N2O2/c1-6(2)9-8(7(3)13)10(14-4)12-5-11-9/h5-6H,1-4H3
InChIKeyCMYVNCXTRWZBMJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.81
Rot. Bonds3

About 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone

1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone (PubChem CID 82656977) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone
PubChem CID82656977
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone
SMILESCOc1ncnc(C(C)C)c1C(C)=O
InChIInChI=1S/C10H14N2O2/c1-6(2)9-8(7(3)13)10(14-4)12-5-11-9/h5-6H,1-4H3
InChIKeyCMYVNCXTRWZBMJ-UHFFFAOYSA-N
XLogP1.81
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxy-6-propan-2-ylpyrimidin-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

4,6-Dimethoxy-7-methylquinazoline-5,8-dione
CID 85664292
1-[4-(2,2-Difluorobutoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 126711019
1-[4-(2,2-Difluoropropoxy)-6-ethylpyrimidin-5-yl]ethanone
CID 154949232
1-(5-Methyl-6-propan-2-yloxypyrimidin-4-yl)ethanone
CID 19694222
4-Methoxy-6-methyl-5-propylpyrimidine
CID 56996496
Methyl 4-Ethyl-6-methylpyrimidine-5-carboxylate
CID 58781568
4-methoxy-6,7-dihydro-5H-quinazolin-8-one
CID 66828831
4-Ethyl-6-methoxy-5-methylpyrimidine
CID 68387524
4-Cyclopropyl-6-methoxypyrimidine-5-carboxylic acid
CID 82401433
4-Cyclopropyl-6-methoxypyrimidine-5-carbaldehyde
CID 83482118
2-Cyclopropyl-4-methoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87815027
2,4-Dimethoxy-6-(2-methylpropyl)pyrimidine-5-carbaldehyde
CID 87977002

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone?
The IUPAC name of 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone (CID 82656977) is 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone is COc1ncnc(C(C)C)c1C(C)=O.
What is the InChIKey of 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone?
The InChIKey is CMYVNCXTRWZBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6(2)9-8(7(3)13)10(14-4)12-5-11-9/h5-6H,1-4H3.
What are the key properties of 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone?
1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-propan-2-ylpyrimidin-5-yl)ethanone is sourced from PubChem (CID 82656977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).