5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one

C9H12BrN3O3 — CID 136958039

IUPAC5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOC(CO)C2)c1Br
InChIInChI=1S/C9H12BrN3O3/c10-7-8(11-5-12-9(7)15)13-1-2-16-6(3-13)4-14/h5-6,14H,1-4H2,(H,11,12,15)
InChIKeyWBGCVMNLNMDVPB-UHFFFAOYSA-N
MW290.12 g/mol
LogP-0.27
Rot. Bonds2

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

5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136958039) has the molecular formula C9H12BrN3O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136958039
Molecular FormulaC9H12BrN3O3
Molecular Weight290.12 g/mol
Exact Mass289.01
IUPAC Name5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOC(CO)C2)c1Br
InChIInChI=1S/C9H12BrN3O3/c10-7-8(11-5-12-9(7)15)13-1-2-16-6(3-13)4-14/h5-6,14H,1-4H2,(H,11,12,15)
InChIKeyWBGCVMNLNMDVPB-UHFFFAOYSA-N
XLogP-0.27
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-(3,4-dihydroxypyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136766523
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136783250
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783253
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783254
5-bromo-4-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyrimidin-6-one
CID 136811794
5-bromo-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825656
5-bromo-4-(1,4-dioxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956242
5-bromo-4-[2-(2-hydroxyethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136956549
5-bromo-4-[(2-hydroxy-3-methoxypropyl)amino]-1H-pyrimidin-6-one
CID 136956762
5-bromo-4-(2,3-dihydroxypropylamino)-1H-pyrimidin-6-one
CID 136956914
5-bromo-4-(4-hydroxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957341
5-bromo-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 136957360

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one (CID 136958039) is 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCOC(CO)C2)c1Br.
What is the InChIKey of 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is WBGCVMNLNMDVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3O3/c10-7-8(11-5-12-9(7)15)13-1-2-16-6(3-13)4-14/h5-6,14H,1-4H2,(H,11,12,15).
What are the key properties of 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 290.12 g/mol, XLogP of -0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(hydroxymethyl)morpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).