1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea

C10H14BrN3O — CID 83170861

IUPAC1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
SMILESCc1cc(Br)cnc1NC(=O)NC(C)C
InChIInChI=1S/C10H14BrN3O/c1-6(2)13-10(15)14-9-7(3)4-8(11)5-12-9/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyMEGSXIUJTJWGIE-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.68
Rot. Bonds2

About 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea

1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea (PubChem CID 83170861) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea.

Molecular Properties

Compound Name1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
PubChem CID83170861
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea
SMILESCc1cc(Br)cnc1NC(=O)NC(C)C
InChIInChI=1S/C10H14BrN3O/c1-6(2)13-10(15)14-9-7(3)4-8(11)5-12-9/h4-6H,1-3H3,(H2,12,13,14,15)
InChIKeyMEGSXIUJTJWGIE-UHFFFAOYSA-N
XLogP2.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-methyl-2-pyridinyl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 83168791
N-(5-bromo-3-methyl-2-pyridinyl)-3,5,5-trimethylhexanamide
CID 83171017
1-[6-(4-bromo-2-methylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113021512
N-(5-bromo-3-methyl-2-pyridinyl)-4-chloro-1-propan-2-ylpyrrole-2-carboxamide
CID 83171095
5-bromo-N-(5-bromo-3-methyl-2-pyridinyl)-2-hydrazinylpyridine-3-carboxamide
CID 83170019
N-(5-bromo-3-methyl-2-pyridinyl)-3,3,3-trifluoropropanamide
CID 81489506
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551
N-(5-bromo-3-methyl-2-pyridinyl)-2-pyrrolidin-1-ylacetamide
CID 67362705
1-(5-bromo-3-methyl-2-pyridinyl)-3-(3-cyanophenyl)urea
CID 83170863
methyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-3-methylbutanoate
CID 79718493
1-(3,5-dimethylphenyl)-3-propan-2-ylurea
CID 4054179
1-(5-bromo-3-methyl-2-pyridinyl)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]urea
CID 99634846

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea?
The IUPAC name of 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea (CID 83170861) is 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea.
What is the SMILES notation for 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea?
The canonical SMILES for 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea is Cc1cc(Br)cnc1NC(=O)NC(C)C.
What is the InChIKey of 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea?
The InChIKey is MEGSXIUJTJWGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-6(2)13-10(15)14-9-7(3)4-8(11)5-12-9/h4-6H,1-3H3,(H2,12,13,14,15).
What are the key properties of 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea?
1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea has a molecular weight of 272.15 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-methyl-2-pyridinyl)-3-propan-2-ylurea is sourced from PubChem (CID 83170861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).