5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one

C9H14BrN3O2 — CID 136957802

IUPAC5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCCCN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-13(4-3-5-15-2)8-7(10)9(14)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyQQPNMDZDOCKNME-UHFFFAOYSA-N
MW276.13 g/mol
LogP1.01
Rot. Bonds5

About 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136957802) has the molecular formula C9H14BrN3O2 and a molecular weight of 276.13 g/mol. Its IUPAC name is 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136957802
Molecular FormulaC9H14BrN3O2
Molecular Weight276.13 g/mol
Exact Mass275.03
IUPAC Name5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCOCCCN(C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H14BrN3O2/c1-13(4-3-5-15-2)8-7(10)9(14)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,14)
InChIKeyQQPNMDZDOCKNME-UHFFFAOYSA-N
XLogP1.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-bromo-4-[3-methoxypropyl(methyl)amino]-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-methoxy-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009559
4-[3-aminopropyl(methyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972460
5-amino-4-[2-methoxyethyl(methyl)amino]-1H-pyrimidin-6-one
CID 137009396
5-bromo-4-[2-(tert-butylamino)ethyl-methylamino]-1H-pyrimidin-6-one
CID 136989726
3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805
5-bromo-4-[(4-ethylphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 136970837
4-[bis(2-aminoethyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 137008125
4-[butyl(methyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136993915
4-[butyl(methyl)amino]-5-chloro-1H-pyrimidin-6-one
CID 137009015
3-[2-methoxyethyl(methyl)amino]-1H-pyrazin-2-one
CID 115657141
4-[3-aminopropyl(propyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136972544
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetate
CID 137007634

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one (CID 136957802) is 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one is COCCCN(C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QQPNMDZDOCKNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O2/c1-13(4-3-5-15-2)8-7(10)9(14)12-6-11-8/h6H,3-5H2,1-2H3,(H,11,12,14).
What are the key properties of 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 276.13 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-methoxypropyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).