1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea

C8H10BrN3O — CID 127009526

IUPAC1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1ncc(C)cc1Br
InChIInChI=1S/C8H10BrN3O/c1-5-3-6(9)7(11-4-5)12-8(13)10-2/h3-4H,1-2H3,(H2,10,11,12,13)
InChIKeyHINBFETXGRGXAI-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.90
Rot. Bonds1

About 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea

1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea (PubChem CID 127009526) has the molecular formula C8H10BrN3O and a molecular weight of 244.09 g/mol. Its IUPAC name is 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea.

Molecular Properties

Compound Name1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
PubChem CID127009526
Molecular FormulaC8H10BrN3O
Molecular Weight244.09 g/mol
Exact Mass243.00
IUPAC Name1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea
SMILESCNC(=O)Nc1ncc(C)cc1Br
InChIInChI=1S/C8H10BrN3O/c1-5-3-6(9)7(11-4-5)12-8(13)10-2/h3-4H,1-2H3,(H2,10,11,12,13)
InChIKeyHINBFETXGRGXAI-UHFFFAOYSA-N
XLogP1.90
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-5-methyl-2-pyridinyl)-3-methylurea
CID 20827630
N-(3-bromo-5-methyl-2-pyridinyl)-5-fluoropyridine-3-carboxamide
CID 75496322
N-(3-bromo-5-methyl-2-pyridinyl)thiophene-3-carboxamide
CID 11437936
2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
CID 105367068
1-methyl-3-(5-methylpyrimidin-2-yl)urea
CID 70667568
(2S)-N-(3-bromo-5-methyl-2-pyridinyl)-2-methoxy-2-phenylacetamide
CID 97326609
N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide
CID 75388632
N-[3-[(3-bromo-5-methyl-2-pyridinyl)amino]phenyl]acetamide
CID 105367745
N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide
CID 154739698
1-(3-bromo-5-methylphenyl)-3-methylurea
CID 104938547
3-bromo-N-(2,6-dibromophenyl)-5-methylpyridin-2-amine
CID 107603071
2-[(3-bromo-5-methyl-2-pyridinyl)amino]ethyl carbamate
CID 105367093

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea?
The IUPAC name of 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea (CID 127009526) is 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea.
What is the SMILES notation for 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea?
The canonical SMILES for 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea is CNC(=O)Nc1ncc(C)cc1Br.
What is the InChIKey of 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea?
The InChIKey is HINBFETXGRGXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O/c1-5-3-6(9)7(11-4-5)12-8(13)10-2/h3-4H,1-2H3,(H2,10,11,12,13).
What are the key properties of 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea?
1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea has a molecular weight of 244.09 g/mol, XLogP of 1.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methyl-2-pyridinyl)-3-methylurea is sourced from PubChem (CID 127009526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).