5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

C11H19BrN4O — CID 136752196

IUPAC5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H19BrN4O/c1-4-16(7-5-6-15(2)3)10-9(12)11(17)14-8-13-10/h8H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyKHCWIGFHMURSGK-UHFFFAOYSA-N
MW303.20 g/mol
LogP1.31
Rot. Bonds6

About 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one

5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (PubChem CID 136752196) has the molecular formula C11H19BrN4O and a molecular weight of 303.20 g/mol. Its IUPAC name is 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
PubChem CID136752196
Molecular FormulaC11H19BrN4O
Molecular Weight303.20 g/mol
Exact Mass302.07
IUPAC Name5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one
SMILESCCN(CCCN(C)C)c1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H19BrN4O/c1-4-16(7-5-6-15(2)3)10-9(12)11(17)14-8-13-10/h8H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyKHCWIGFHMURSGK-UHFFFAOYSA-N
XLogP1.31
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136957581
5-bromo-4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyrimidin-6-one
CID 136957959
5-bromo-4-[propyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136971135
4-[(3-amino-2,2-difluoropropyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136979147
5-Bromo-3-[2-[3-(dimethylamino)propylamino]ethyl]pyrimidin-4-one
CID 66309377
5-Bromo-3-[3-(propylamino)propyl]pyrimidin-4-one
CID 66310211
5-Bromo-3-[3-(ethylamino)propyl]pyrimidin-4-one
CID 66310212
5-Bromo-6-methyl-3-[3-(propylamino)propyl]pyrimidin-4-one
CID 66310473
5-Bromo-3-[3-(ethylamino)propyl]-6-methylpyrimidin-4-one
CID 66310474
5-Bromo-3-[3-(methylamino)propyl]pyrimidin-4-one
CID 66310640
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713545

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one (CID 136752196) is 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is CCN(CCCN(C)C)c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
The InChIKey is KHCWIGFHMURSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4O/c1-4-16(7-5-6-15(2)3)10-9(12)11(17)14-8-13-10/h8H,4-7H2,1-3H3,(H,13,14,17).
What are the key properties of 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one?
5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one has a molecular weight of 303.20 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[3-(dimethylamino)propyl-ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136752196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).