5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one

C11H17BrN4O — CID 136956290

IUPAC5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCN1CCCC(Nc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H17BrN4O/c1-2-16-5-3-4-8(6-16)15-10-9(12)11(17)14-7-13-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyWOMMSNJOGIMNOD-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.43
Rot. Bonds3

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

5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136956290) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
PubChem CID136956290
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
SMILESCCN1CCCC(Nc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H17BrN4O/c1-2-16-5-3-4-8(6-16)15-10-9(12)11(17)14-7-13-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyWOMMSNJOGIMNOD-UHFFFAOYSA-N
XLogP1.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one
CID 141111981
5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746
5-Bromo-3-[2-(cyclohexylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309844
5-Bromo-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66309968
5-amino-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568287
5-amino-4-(2-ethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568289
5-amino-4-(2-piperidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 135568308
5-amino-4-[methyl-(1-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135575726
5-bromo-4-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136672453
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
5-bromo-4-(2-ethyl-4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136726436
5-bromo-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731504

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one (CID 136956290) is 5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one is CCN1CCCC(Nc2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is WOMMSNJOGIMNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-2-16-5-3-4-8(6-16)15-10-9(12)11(17)14-7-13-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 301.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-ethylpiperidin-3-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).