5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one

C10H14BrN3O2 — CID 66309607

IUPAC5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncn(CC2CNCCO2)c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-7-9(11)10(15)14(6-13-7)5-8-4-12-2-3-16-8/h6,8,12H,2-5H2,1H3
InChIKeyMNWZTUUZELEANT-UHFFFAOYSA-N
MW288.14 g/mol
LogP0.30
Rot. Bonds2

About 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one

5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one (PubChem CID 66309607) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
PubChem CID66309607
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
SMILESCc1ncn(CC2CNCCO2)c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-7-9(11)10(15)14(6-13-7)5-8-4-12-2-3-16-8/h6,8,12H,2-5H2,1H3
InChIKeyMNWZTUUZELEANT-UHFFFAOYSA-N
XLogP0.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one (CID 66309607) is 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one is Cc1ncn(CC2CNCCO2)c(=O)c1Br.
What is the InChIKey of 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
The InChIKey is MNWZTUUZELEANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-7-9(11)10(15)14(6-13-7)5-8-4-12-2-3-16-8/h6,8,12H,2-5H2,1H3.
What are the key properties of 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one?
5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one has a molecular weight of 288.14 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66309607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).