2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide

C13H13BrClN5O2 — CID 90225297

IUPAC2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cccc(Nc2nc(Cl)ncc2Br)c1=O
InChIInChI=1S/C13H13BrClN5O2/c1-19(2)10(21)7-20-5-3-4-9(12(20)22)17-11-8(14)6-16-13(15)18-11/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyWTHPLCHTHGJSJA-UHFFFAOYSA-N
MW386.64 g/mol
LogP1.89
Rot. Bonds4

About 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide

2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide (PubChem CID 90225297) has the molecular formula C13H13BrClN5O2 and a molecular weight of 386.64 g/mol. Its IUPAC name is 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
PubChem CID90225297
Molecular FormulaC13H13BrClN5O2
Molecular Weight386.64 g/mol
Exact Mass384.99
IUPAC Name2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1cccc(Nc2nc(Cl)ncc2Br)c1=O
InChIInChI=1S/C13H13BrClN5O2/c1-19(2)10(21)7-20-5-3-4-9(12(20)22)17-11-8(14)6-16-13(15)18-11/h3-6H,7H2,1-2H3,(H,16,17,18)
InChIKeyWTHPLCHTHGJSJA-UHFFFAOYSA-N
XLogP1.89
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.64
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide (CID 90225297) is 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1cccc(Nc2nc(Cl)ncc2Br)c1=O.
What is the InChIKey of 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
The InChIKey is WTHPLCHTHGJSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN5O2/c1-19(2)10(21)7-20-5-3-4-9(12(20)22)17-11-8(14)6-16-13(15)18-11/h3-6H,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide?
2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide has a molecular weight of 386.64 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-bromo-2-chloropyrimidin-4-yl)amino]-2-oxo-1-pyridinyl]-N,N-dimethylacetamide is sourced from PubChem (CID 90225297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).