N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide

C14H14BrN3O2 — CID 91816313

IUPACN-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)cc2Br)ncn1
InChIInChI=1S/C14H14BrN3O2/c1-3-20-13-7-12(16-8-17-13)14(19)18-11-5-4-9(2)6-10(11)15/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyHQLVDHRIDITLMA-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.20
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide

N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide (PubChem CID 91816313) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
PubChem CID91816313
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC NameN-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccc(C)cc2Br)ncn1
InChIInChI=1S/C14H14BrN3O2/c1-3-20-13-7-12(16-8-17-13)14(19)18-11-5-4-9(2)6-10(11)15/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyHQLVDHRIDITLMA-UHFFFAOYSA-N
XLogP3.20
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167981
N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167671
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353355
6-ethoxy-N-(5-methyl-2-pyridinyl)pyrimidine-4-carboxamide
CID 91816304
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
N-(2-bromo-4-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354489
ethyl 2-[(6-ethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167557
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
ethyl 6-[(2-bromo-4-methylphenyl)carbamoyl]pyridine-2-carboxylate
CID 5169363
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide (CID 91816313) is N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2ccc(C)cc2Br)ncn1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide?
The InChIKey is HQLVDHRIDITLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-3-20-13-7-12(16-8-17-13)14(19)18-11-5-4-9(2)6-10(11)15/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 91816313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).