5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one

C9H15BrN4O — CID 136956563

IUPAC5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCCN(C)CCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H15BrN4O/c1-3-14(2)5-4-11-8-7(10)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyIXCPNGMZYJUQOA-UHFFFAOYSA-N
MW275.15 g/mol
LogP0.90
Rot. Bonds5

About 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one

5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136956563) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
PubChem CID136956563
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
SMILESCCN(C)CCNc1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H15BrN4O/c1-3-14(2)5-4-11-8-7(10)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyIXCPNGMZYJUQOA-UHFFFAOYSA-N
XLogP0.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-(pentylamino)-1H-pyrimidin-6-one
CID 136955956
4-(3-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 137008775
4-(4-aminobutylamino)-5-bromo-1H-pyrimidin-6-one
CID 136973374
5-bromo-4-(3-methylsulfonylpropylamino)-1H-pyrimidin-6-one
CID 136956238
4-(2-aminopropylamino)-5-bromo-1H-pyrimidin-6-one
CID 136978155
5-bromo-4-[2-(trifluoromethylsulfanyl)ethylamino]-1H-pyrimidin-6-one
CID 136842343
5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 136956545
4-[(2-amino-3-ethylpentyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136817755
4-[2-(azepan-1-yl)ethylamino]-5-bromo-1H-pyrimidin-6-one
CID 137015442
5-bromo-4-[2-(4-methylpyrazol-1-yl)ethylamino]-1H-pyrimidin-6-one
CID 136786660
4-[(4-amino-2,2-dimethylbutyl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136857340
5-bromo-4-[3-(2-chloroethoxy)propylamino]-1H-pyrimidin-6-one
CID 136730520

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one (CID 136956563) is 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one is CCN(C)CCNc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is IXCPNGMZYJUQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O/c1-3-14(2)5-4-11-8-7(10)9(15)13-6-12-8/h6H,3-5H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one?
5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 275.15 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).