4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one

C10H15BrN4O2 — CID 137008636

IUPAC4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
SMILESCC1COC(CN)CN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-6-4-17-7(2-12)3-15(6)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyYYLDRXHTAFMGDJ-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.08
Rot. Bonds2

About 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one

4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one (PubChem CID 137008636) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
PubChem CID137008636
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
SMILESCC1COC(CN)CN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O2/c1-6-4-17-7(2-12)3-15(6)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16)
InChIKeyYYLDRXHTAFMGDJ-UHFFFAOYSA-N
XLogP0.08
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one (CID 137008636) is 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one is CC1COC(CN)CN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one?
The InChIKey is YYLDRXHTAFMGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-6-4-17-7(2-12)3-15(6)9-8(11)10(16)14-5-13-9/h5-7H,2-4,12H2,1H3,(H,13,14,16).
What are the key properties of 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one has a molecular weight of 303.16 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-5-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one is sourced from PubChem (CID 137008636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).