N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide

C13H12BrN3O2 — CID 121167671

IUPACN-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccccc2Br)ncn1
InChIInChI=1S/C13H12BrN3O2/c1-2-19-12-7-11(15-8-16-12)13(18)17-10-6-4-3-5-9(10)14/h3-8H,2H2,1H3,(H,17,18)
InChIKeyBVMXRSGARBPGHZ-UHFFFAOYSA-N
MW322.16 g/mol
LogP2.89
Rot. Bonds4

About N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide

N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide (PubChem CID 121167671) has the molecular formula C13H12BrN3O2 and a molecular weight of 322.16 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
PubChem CID121167671
Molecular FormulaC13H12BrN3O2
Molecular Weight322.16 g/mol
Exact Mass321.01
IUPAC NameN-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
SMILESCCOc1cc(C(=O)Nc2ccccc2Br)ncn1
InChIInChI=1S/C13H12BrN3O2/c1-2-19-12-7-11(15-8-16-12)13(18)17-10-6-4-3-5-9(10)14/h3-8H,2H2,1H3,(H,17,18)
InChIKeyBVMXRSGARBPGHZ-UHFFFAOYSA-N
XLogP2.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313
6-ethoxy-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 91816253
ethyl 2-[(6-ethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167557
N-(2,3-dichlorophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167627
N-(2,1,3-benzothiadiazol-4-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167615
6-ethoxy-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 121167635
N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167981
N-(2-bromophenyl)-3-chloro-6-ethoxypyridine-2-carboxamide
CID 47390539
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
ethyl 2-[(6-methoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167291
ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167835
N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-ethoxypyrimidine-4-carboxamide
CID 121167679

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide (CID 121167671) is N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide is CCOc1cc(C(=O)Nc2ccccc2Br)ncn1.
What is the InChIKey of N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide?
The InChIKey is BVMXRSGARBPGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O2/c1-2-19-12-7-11(15-8-16-12)13(18)17-10-6-4-3-5-9(10)14/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide?
N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide has a molecular weight of 322.16 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).