5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one

C12H18BrN3O — CID 136971541

IUPAC5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCC1CCCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C12H18BrN3O/c1-2-5-9-6-3-4-7-16(9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeyWLUMZLWNIVCNAZ-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.69
Rot. Bonds3

About 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136971541) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136971541
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCC1CCCCN1c1nc[nH]c(=O)c1Br
InChIInChI=1S/C12H18BrN3O/c1-2-5-9-6-3-4-7-16(9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeyWLUMZLWNIVCNAZ-UHFFFAOYSA-N
XLogP2.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746
5-Bromo-6-methyl-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66308960
5-Bromo-3-(2-piperidin-2-ylethyl)pyrimidin-4-one
CID 66309969
5-bromo-4-(2,4-dimethylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 136726429
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
5-bromo-4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805288
5-bromo-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805298
5-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805307
5-bromo-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805314
5-bromo-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805322
5-bromo-4-[piperidin-3-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805339
4-[2-(aminomethyl)-4-methylpiperidin-1-yl]-5-bromo-1H-pyrimidin-6-one
CID 136847744

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136971541) is 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one is CCCC1CCCCN1c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is WLUMZLWNIVCNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-2-5-9-6-3-4-7-16(9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17).
What are the key properties of 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 300.20 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-propylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136971541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).