5-bromo-N,N-dimethylpyrimidine-2-carboxamide

C7H8BrN3O — CID 59559990

IUPAC5-bromo-N,N-dimethylpyrimidine-2-carboxamide
SMILESCN(C)C(=O)c1ncc(Br)cn1
InChIInChI=1S/C7H8BrN3O/c1-11(2)7(12)6-9-3-5(8)4-10-6/h3-4H,1-2H3
InChIKeyVLWQDZYFUMYZMT-UHFFFAOYSA-N
MW230.06 g/mol
LogP0.94
Rot. Bonds1

About 5-bromo-N,N-dimethylpyrimidine-2-carboxamide

5-bromo-N,N-dimethylpyrimidine-2-carboxamide (PubChem CID 59559990) has the molecular formula C7H8BrN3O and a molecular weight of 230.06 g/mol. Its IUPAC name is 5-bromo-N,N-dimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dimethylpyrimidine-2-carboxamide
PubChem CID59559990
Molecular FormulaC7H8BrN3O
Molecular Weight230.06 g/mol
Exact Mass228.99
IUPAC Name5-bromo-N,N-dimethylpyrimidine-2-carboxamide
SMILESCN(C)C(=O)c1ncc(Br)cn1
InChIInChI=1S/C7H8BrN3O/c1-11(2)7(12)6-9-3-5(8)4-10-6/h3-4H,1-2H3
InChIKeyVLWQDZYFUMYZMT-UHFFFAOYSA-N
XLogP0.94
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-Bromopyrimidin-2-yl)ethan-1-one
CID 53488064
2-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]propanamide
CID 47279788
2-[(5-bromopyrimidin-2-yl)amino]-N-tert-butylacetamide
CID 75370271
5-Bromopyrimidine-2-carbaldehyde
CID 55264023
5-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
CID 70896667
5-bromo-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidine-2-carboxamide
CID 70935274
5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide
CID 70979702
5-Fluoropyrimidine-2-carboxamide
CID 129916819
N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 134560762
1-(5-Bromopyrimidin-2-yl)-2,2-difluoroethan-1-one
CID 165654160
N-[(5-bromopyrimidin-2-yl)methyl]-2,2-difluoropropanamide
CID 170266210
1-[4-(5-Bromopyrimidin-2-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 62491129

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethylpyrimidine-2-carboxamide?
The IUPAC name of 5-bromo-N,N-dimethylpyrimidine-2-carboxamide (CID 59559990) is 5-bromo-N,N-dimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dimethylpyrimidine-2-carboxamide?
The canonical SMILES for 5-bromo-N,N-dimethylpyrimidine-2-carboxamide is CN(C)C(=O)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N,N-dimethylpyrimidine-2-carboxamide?
The InChIKey is VLWQDZYFUMYZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O/c1-11(2)7(12)6-9-3-5(8)4-10-6/h3-4H,1-2H3.
What are the key properties of 5-bromo-N,N-dimethylpyrimidine-2-carboxamide?
5-bromo-N,N-dimethylpyrimidine-2-carboxamide has a molecular weight of 230.06 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 59559990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).