5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C10H14BrN3O — CID 136957370

IUPAC5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-7-3-2-4-14(5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeySGBOXYBMRKTJFN-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.77
Rot. Bonds1

About 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957370) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957370
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC1CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C10H14BrN3O/c1-7-3-2-4-14(5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15)
InChIKeySGBOXYBMRKTJFN-UHFFFAOYSA-N
XLogP1.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957962
5-bromo-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015677
4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957371
5-methyl-4-piperidin-1-yl-1H-pyrimidin-6-one
CID 173527972
5-Bromo-3-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 66309551
5-Bromo-6-methyl-3-(2-piperidin-3-ylethyl)pyrimidin-4-one
CID 66309814
5-Bromo-6-methyl-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66309815
5-Bromo-3-(piperidin-3-ylmethyl)pyrimidin-4-one
CID 66310611
1-(5-bromo-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687959
5-bromo-4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701824
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
5-bromo-4-(3-chloro-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749171

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136957370) is 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is CC1CCCN(c2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is SGBOXYBMRKTJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-7-3-2-4-14(5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5H2,1H3,(H,12,13,15).
What are the key properties of 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 272.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).