5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one

C10H15BrN2O2 — CID 66309243

IUPAC5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCOC(C)C
InChIInChI=1S/C10H15BrN2O2/c1-7(2)15-5-4-13-8(3)12-6-9(11)10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyPLKQZRBBVARJCI-UHFFFAOYSA-N
MW275.15 g/mol
LogP1.74
Rot. Bonds4

About 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one

5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one (PubChem CID 66309243) has the molecular formula C10H15BrN2O2 and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
PubChem CID66309243
Molecular FormulaC10H15BrN2O2
Molecular Weight275.15 g/mol
Exact Mass274.03
IUPAC Name5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one
SMILESCc1ncc(Br)c(=O)n1CCOC(C)C
InChIInChI=1S/C10H15BrN2O2/c1-7(2)15-5-4-13-8(3)12-6-9(11)10(13)14/h6-7H,4-5H2,1-3H3
InChIKeyPLKQZRBBVARJCI-UHFFFAOYSA-N
XLogP1.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one (CID 66309243) is 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one is Cc1ncc(Br)c(=O)n1CCOC(C)C.
What is the InChIKey of 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
The InChIKey is PLKQZRBBVARJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2/c1-7(2)15-5-4-13-8(3)12-6-9(11)10(13)14/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one?
5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one has a molecular weight of 275.15 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-3-(2-propan-2-yloxyethyl)pyrimidin-4-one is sourced from PubChem (CID 66309243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).