N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

C19H17BrN4O — CID 109357416

IUPACN-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C19H17BrN4O/c1-2-24(16-6-4-3-5-7-16)18-12-17(21-13-22-18)19(25)23-15-10-8-14(20)9-11-15/h3-13H,2H2,1H3,(H,23,25)
InChIKeyDHRKZJTWOICXJU-UHFFFAOYSA-N
MW397.28 g/mol
LogP4.65
Rot. Bonds5

About N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide

N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109357416) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109357416
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC NameN-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)Nc2ccc(Br)cc2)ncn1
InChIInChI=1S/C19H17BrN4O/c1-2-24(16-6-4-3-5-7-16)18-12-17(21-13-22-18)19(25)23-15-10-8-14(20)9-11-15/h3-13H,2H2,1H3,(H,23,25)
InChIKeyDHRKZJTWOICXJU-UHFFFAOYSA-N
XLogP4.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-cyanophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357453
N-(4-bromophenyl)-6-(N-methylanilino)pyrimidine-4-carboxamide
CID 109356370
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357445
N-(3-chloro-4-methoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357414
6-(N-ethylanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109355985
N-(2-ethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357420
6-(N-ethylanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109350583
6-(N-ethylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354322
N-(2,4-dimethoxyphenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide
CID 109357426
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353354
6-(N-ethylanilino)-N-(4-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849476

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide (CID 109357416) is N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)Nc2ccc(Br)cc2)ncn1.
What is the InChIKey of N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is DHRKZJTWOICXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c1-2-24(16-6-4-3-5-7-16)18-12-17(21-13-22-18)19(25)23-15-10-8-14(20)9-11-15/h3-13H,2H2,1H3,(H,23,25).
What are the key properties of N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide?
N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(N-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).