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

C11H16BrN3O2 — CID 136716209

IUPAC5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H16BrN3O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyVNMYPWSOBRQUQY-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.54
Rot. Bonds2

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

5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136716209) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136716209
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1(C)CCCN(c2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H16BrN3O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyVNMYPWSOBRQUQY-UHFFFAOYSA-N
XLogP1.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696651
5-iodo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716210
5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716211
5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716212
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716215
5-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749176
5-bromo-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136749179
5-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792833
5-bromo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821994
5-bromo-4-(3,5-dimethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136957351
5-bromo-4-(2,2-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136957541

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136716209) is 5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COC1(C)CCCN(c2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VNMYPWSOBRQUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-11(17-2)4-3-5-15(6-11)9-8(12)10(16)14-7-13-9/h7H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136716209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).