1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one

C11H14N2O2 — CID 83882775

IUPAC1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one
SMILESCOc1nc(C2CC2)ncc1CC(C)=O
InChIInChI=1S/C11H14N2O2/c1-7(14)5-9-6-12-10(8-3-4-8)13-11(9)15-2/h6,8H,3-5H2,1-2H3
InChIKeySRHYQWGXWJYLRH-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.49
Rot. Bonds4

About 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one

1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one (PubChem CID 83882775) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one
PubChem CID83882775
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one
SMILESCOc1nc(C2CC2)ncc1CC(C)=O
InChIInChI=1S/C11H14N2O2/c1-7(14)5-9-6-12-10(8-3-4-8)13-11(9)15-2/h6,8H,3-5H2,1-2H3
InChIKeySRHYQWGXWJYLRH-UHFFFAOYSA-N
XLogP1.49
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-cyclopropyl-4-methoxypyrimidin-5-yl)acetaldehyde
CID 83878019
methyl 2-[4-(5-methoxycarbonylpyrimidin-2-yl)cyclohexyl]pyrimidine-5-carboxylate
CID 170080453
(2-cyclopropyl-4-propan-2-ylpyrimidin-5-yl)methanol
CID 126974115
2-cyclopropyl-6,7-dimethoxyquinazoline
CID 90237474
5-methoxy-2-(oxan-4-yl)pyrimidine-4-carboxylic acid
CID 83824583
1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one
CID 139524310
2,5-dicyclopropyl-6-methoxypyrimidine-4-carboxylic acid
CID 84697489
2-(4-bromo-2-cyclobutylpyrimidin-5-yl)acetic acid
CID 83852903
ethyl 2-cyclopropyl-4-ethylpyrimidine-5-carboxylate
CID 102972801
1-(6-cyclopropyl-3-pyridinyl)propan-2-one
CID 83827442
2-cyclopropyl-4-ethyl-5-methylpyrimidine
CID 123992925
1-[4-methyl-2-(oxan-4-yl)pyrimidin-5-yl]ethanone
CID 65334515

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one?
The IUPAC name of 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one (CID 83882775) is 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one.
What is the SMILES notation for 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one?
The canonical SMILES for 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one is COc1nc(C2CC2)ncc1CC(C)=O.
What is the InChIKey of 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one?
The InChIKey is SRHYQWGXWJYLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-7(14)5-9-6-12-10(8-3-4-8)13-11(9)15-2/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one?
1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-4-methoxypyrimidin-5-yl)propan-2-one is sourced from PubChem (CID 83882775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).