1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one

C11H14BrN3O — CID 171846505

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(Cc2ccc(Br)cn2)C1=O
InChIInChI=1S/C11H14BrN3O/c1-14-5-2-6-15(11(14)16)8-10-4-3-9(12)7-13-10/h3-4,7H,2,5-6,8H2,1H3
InChIKeyNHZDASSWVGJPSO-UHFFFAOYSA-N
MW284.16 g/mol
LogP2.10
Rot. Bonds2

About 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one

1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one (PubChem CID 171846505) has the molecular formula C11H14BrN3O and a molecular weight of 284.16 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one
PubChem CID171846505
Molecular FormulaC11H14BrN3O
Molecular Weight284.16 g/mol
Exact Mass283.03
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one
SMILESCN1CCCN(Cc2ccc(Br)cn2)C1=O
InChIInChI=1S/C11H14BrN3O/c1-14-5-2-6-15(11(14)16)8-10-4-3-9(12)7-13-10/h3-4,7H,2,5-6,8H2,1H3
InChIKeyNHZDASSWVGJPSO-UHFFFAOYSA-N
XLogP2.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-1-ylmethyl)-5-bromopyridine
CID 105484340
1-[(5-bromo-2-pyridinyl)methyl]-1,4-diazepan-2-one
CID 104810269
1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 23438151
1-[(5-bromo-2-pyridinyl)methyl]-3-ethylpiperazin-2-one
CID 104810265
2-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 104809284
1-[(3-bromo-1,2-oxazol-5-yl)methyl]-3-methyl-1,3-diazinan-2-one
CID 131076766
10-[(5-bromo-2-pyridinyl)methyl]-6,10-diazaspiro[4.6]undecane-7,11-dione
CID 104812836
1-[(5-bromo-2-pyridinyl)methyl]-4,4-dimethylpiperidine-2,6-dione
CID 113455679
5-bromo-2-(bromomethyl)pyridine;1-[(5-bromo-2-pyridinyl)methyl]-4-methylpiperazine
CID 158558565
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinolin-5-amine
CID 115777489
3-[2-chloro-3-[6-[(3-methyl-2-oxo-1,3-diazinan-1-yl)methyl]-3-pyridinyl]phenyl]piperidine-2,6-dione
CID 171846709
3-[(5-bromo-2-pyridinyl)methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 104809320

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one (CID 171846505) is 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one is CN1CCCN(Cc2ccc(Br)cn2)C1=O.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one?
The InChIKey is NHZDASSWVGJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3O/c1-14-5-2-6-15(11(14)16)8-10-4-3-9(12)7-13-10/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one?
1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one has a molecular weight of 284.16 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-3-methyl-1,3-diazinan-2-one is sourced from PubChem (CID 171846505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).