1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone

C11H16N2O2 — CID 83883773

IUPAC1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone
SMILESCOc1nc(CC(C)C)ncc1C(C)=O
InChIInChI=1S/C11H16N2O2/c1-7(2)5-10-12-6-9(8(3)14)11(13-10)15-4/h6-7H,5H2,1-4H3
InChIKeyMQKGPRIQQHDFIK-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.89
Rot. Bonds4

About 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone

1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone (PubChem CID 83883773) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone
PubChem CID83883773
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone
SMILESCOc1nc(CC(C)C)ncc1C(C)=O
InChIInChI=1S/C11H16N2O2/c1-7(2)5-10-12-6-9(8(3)14)11(13-10)15-4/h6-7H,5H2,1-4H3
InChIKeyMQKGPRIQQHDFIK-UHFFFAOYSA-N
XLogP1.89
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-chloro-2-(2-methylpropyl)pyrimidin-5-yl]acetate
CID 117225349
ethyl 4-(chloromethyl)-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 102973414
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]methanone
CID 56749440
2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
CID 83884924
1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
CID 71300170
1-(4-ethoxy-2-methylpyrimidin-5-yl)ethanone
CID 83875345
ethyl 2-(2-methoxypropyl)-4-methylpyrimidine-5-carboxylate
CID 102972537
3-methoxy-5-methyl-2-(2-methylpropyl)pyrazine
CID 11550097
2-methoxy-3-(2-methylpropyl)-5-propan-2-ylpyrazine
CID 142841015
ethyl 4-ethyl-2-(2-methoxypropyl)pyrimidine-5-carboxylate
CID 102972907
3-methoxy-6-(2-methylpropyl)pyridazine-4-carboxylic acid
CID 117127052
1-[4-(2-methylpropyl)-2-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]pyrimidin-5-yl]ethanone
CID 158350983

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone (CID 83883773) is 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone is COc1nc(CC(C)C)ncc1C(C)=O.
What is the InChIKey of 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone?
The InChIKey is MQKGPRIQQHDFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)5-10-12-6-9(8(3)14)11(13-10)15-4/h6-7H,5H2,1-4H3.
What are the key properties of 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone?
1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-2-(2-methylpropyl)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 83883773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).