1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea

C14H20BrN3O2 — CID 99624141

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea
SMILESCc1nc(NC(=O)NC2C[C@@H](C)O[C@@H](C)C2)ccc1Br
InChIInChI=1S/C14H20BrN3O2/c1-8-6-11(7-9(2)20-8)17-14(19)18-13-5-4-12(15)10(3)16-13/h4-5,8-9,11H,6-7H2,1-3H3,(H2,16,17,18,19)/t8-,9+,11?
InChIKeyIQQCYJHSWARAQI-SLHIUPAKSA-N
MW342.24 g/mol
LogP3.23
Rot. Bonds2

About 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea

1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea (PubChem CID 99624141) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea
PubChem CID99624141
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea
SMILESCc1nc(NC(=O)NC2C[C@@H](C)O[C@@H](C)C2)ccc1Br
InChIInChI=1S/C14H20BrN3O2/c1-8-6-11(7-9(2)20-8)17-14(19)18-13-5-4-12(15)10(3)16-13/h4-5,8-9,11H,6-7H2,1-3H3,(H2,16,17,18,19)/t8-,9+,11?
InChIKeyIQQCYJHSWARAQI-SLHIUPAKSA-N
XLogP3.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea with MolForge

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Related Compounds

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CID 4509258
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trans-methyl (1R,3R)-3-[(5-bromo-6-methyl-2-pyridinyl)carbamoyl]cyclohexane-1-carboxylate
CID 124608797
propan-2-yl N-(5-bromo-6-methyl-2-pyridinyl)carbamate
CID 79048971
N-(5-bromo-6-methyl-2-pyridinyl)pentanamide
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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea (CID 99624141) is 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea is Cc1nc(NC(=O)NC2C[C@@H](C)O[C@@H](C)C2)ccc1Br.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea?
The InChIKey is IQQCYJHSWARAQI-SLHIUPAKSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-8-6-11(7-9(2)20-8)17-14(19)18-13-5-4-12(15)10(3)16-13/h4-5,8-9,11H,6-7H2,1-3H3,(H2,16,17,18,19)/t8-,9+,11?.
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea?
1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea has a molecular weight of 342.24 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)-3-[(2R,6S)-2,6-dimethyloxan-4-yl]urea is sourced from PubChem (CID 99624141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).