5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one

C11H17BrN4O — CID 136989298

IUPAC5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Br)C1CCCNC1
InChIInChI=1S/C11H17BrN4O/c1-7(8-3-2-4-13-5-8)16-10-9(12)11(17)15-6-14-10/h6-8,13H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyALUYJLKDQDAUHD-UHFFFAOYSA-N
MW301.19 g/mol
LogP1.33
Rot. Bonds3

About 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one

5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136989298) has the molecular formula C11H17BrN4O and a molecular weight of 301.19 g/mol. Its IUPAC name is 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136989298
Molecular FormulaC11H17BrN4O
Molecular Weight301.19 g/mol
Exact Mass300.06
IUPAC Name5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one
SMILESCC(Nc1nc[nH]c(=O)c1Br)C1CCCNC1
InChIInChI=1S/C11H17BrN4O/c1-7(8-3-2-4-13-5-8)16-10-9(12)11(17)15-6-14-10/h6-8,13H,2-5H2,1H3,(H2,14,15,16,17)
InChIKeyALUYJLKDQDAUHD-UHFFFAOYSA-N
XLogP1.33
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977342
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
3-(1-piperidin-3-ylethylamino)pyrazine-2-carboxamide
CID 62685001
3-(1-piperidin-3-ylethylamino)pyrazine-2-carbonitrile
CID 55104640
5-methyl-N-(1-piperidin-3-ylethyl)pyridin-2-amine
CID 62045704
4-(1-cyclopropylethylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136973988
6-methyl-2-(1-piperidin-3-ylethylamino)pyridine-3-carboxamide
CID 62047261
5-bromo-4-[(3-methylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136957244
4-[(1-amino-3-methylbutan-2-yl)amino]-5-bromo-1H-pyrimidin-6-one
CID 136978383
4,6-dimethyl-N-(1-piperidin-3-ylethyl)pyrimidin-2-amine
CID 62044870
5,6-dimethyl-N-(1-piperidin-3-ylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62046212

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one (CID 136989298) is 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one is CC(Nc1nc[nH]c(=O)c1Br)C1CCCNC1.
What is the InChIKey of 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is ALUYJLKDQDAUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O/c1-7(8-3-2-4-13-5-8)16-10-9(12)11(17)15-6-14-10/h6-8,13H,2-5H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one?
5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 301.19 g/mol, XLogP of 1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136989298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).