N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

C13H12BrClN4O — CID 102674171

IUPACN-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2cc(Br)ccn2)n1
InChIInChI=1S/C13H12BrClN4O/c1-7(2)12-17-6-9(15)11(19-12)13(20)18-10-5-8(14)3-4-16-10/h3-7H,1-2H3,(H,16,18,20)
InChIKeyCEEQZJOYKYUHFV-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.66
Rot. Bonds3

About N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide

N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 102674171) has the molecular formula C13H12BrClN4O and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID102674171
Molecular FormulaC13H12BrClN4O
Molecular Weight355.62 g/mol
Exact Mass353.99
IUPAC NameN-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2cc(Br)ccn2)n1
InChIInChI=1S/C13H12BrClN4O/c1-7(2)12-17-6-9(15)11(19-12)13(20)18-10-5-8(14)3-4-16-10/h3-7H,1-2H3,(H,16,18,20)
InChIKeyCEEQZJOYKYUHFV-UHFFFAOYSA-N
XLogP3.66
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 62022282
5-chloro-2-propan-2-yl-N-pyrazin-2-ylpyrimidine-4-carboxamide
CID 55032941
5-chloro-2-propan-2-yl-N-(1H-pyrazol-5-yl)pyrimidine-4-carboxamide
CID 47466541
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64527054
N-(4-bromo-2-pyridinyl)-4-propan-2-ylbenzamide
CID 102674107
N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 103741296
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459161
N'-acetyl-5-chloro-2-propan-2-ylpyrimidine-4-carbohydrazide
CID 62047155
5-chloro-N-[4-[(S)-methylsulfinyl]phenyl]-2-propan-2-ylpyrimidine-4-carboxamide
CID 96565908
2-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 55032602
N-(4-bromo-2-pyridinyl)-3-chloro-5-methylbenzamide
CID 102674199

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (CID 102674171) is N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)Nc2cc(Br)ccn2)n1.
What is the InChIKey of N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is CEEQZJOYKYUHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN4O/c1-7(2)12-17-6-9(15)11(19-12)13(20)18-10-5-8(14)3-4-16-10/h3-7H,1-2H3,(H,16,18,20).
What are the key properties of N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 355.62 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 102674171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).