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

C10H15BrN4O2 — CID 136956890

IUPAC5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCOC(CNc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C10H15BrN4O2/c1-15-2-3-17-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyZPGPLOBRTBCIIE-UHFFFAOYSA-N
MW303.16 g/mol
LogP0.27
Rot. Bonds3

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

5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956890) has the molecular formula C10H15BrN4O2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956890
Molecular FormulaC10H15BrN4O2
Molecular Weight303.16 g/mol
Exact Mass302.04
IUPAC Name5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCN1CCOC(CNc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C10H15BrN4O2/c1-15-2-3-17-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16)
InChIKeyZPGPLOBRTBCIIE-UHFFFAOYSA-N
XLogP0.27
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-Bromo-2-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66309005
5-Bromo-6-methyl-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66309607
5-Bromo-3-(morpholin-2-ylmethyl)pyrimidin-4-one
CID 66310396
5-bromo-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718889
5-bromo-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706920
5-bromo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749179
5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783259
5-bromo-4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783262
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783263
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-bromo-1H-pyrimidin-6-one
CID 136783265
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783267
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783269

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136956890) is 5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one is CN1CCOC(CNc2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is ZPGPLOBRTBCIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O2/c1-15-2-3-17-7(5-15)4-12-9-8(11)10(16)14-6-13-9/h6-7H,2-5H2,1H3,(H2,12,13,14,16).
What are the key properties of 5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 303.16 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).