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

C14H12BrCl2N3O — CID 62022282

IUPACN-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C14H12BrCl2N3O/c1-7(2)13-18-6-10(17)12(20-13)14(21)19-11-4-3-8(15)5-9(11)16/h3-7H,1-2H3,(H,19,21)
InChIKeySQDDKVLXSGRXBH-UHFFFAOYSA-N
MW389.08 g/mol
LogP4.92
Rot. Bonds3

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

N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62022282) has the molecular formula C14H12BrCl2N3O and a molecular weight of 389.08 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62022282
Molecular FormulaC14H12BrCl2N3O
Molecular Weight389.08 g/mol
Exact Mass386.95
IUPAC NameN-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C14H12BrCl2N3O/c1-7(2)13-18-6-10(17)12(20-13)14(21)19-11-4-3-8(15)5-9(11)16/h3-7H,1-2H3,(H,19,21)
InChIKeySQDDKVLXSGRXBH-UHFFFAOYSA-N
XLogP4.92
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.08
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-pyridinyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 102674171
5-amino-N-(2-chloro-4-iodophenyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107606077
N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 119420652
N-(2-bromo-6-fluorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
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N-(2-amino-5-methoxyphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide;hydrochloride
CID 119420651
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-(2-carbamoyl-3-methylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 86857183
N-(4-carbamoylphenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide
CID 136579417
5-chloro-N-cyclopropyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 47460243
N-(4-bromo-2-chlorophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861481
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459161

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide (CID 62022282) is N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)Nc2ccc(Br)cc2Cl)n1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is SQDDKVLXSGRXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrCl2N3O/c1-7(2)13-18-6-10(17)12(20-13)14(21)19-11-4-3-8(15)5-9(11)16/h3-7H,1-2H3,(H,19,21).
What are the key properties of N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide?
N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 389.08 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-5-chloro-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62022282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).