N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide

C16H19BrN4O — CID 109353355

IUPACN-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2ccc(C)cc2Br)ncn1
InChIInChI=1S/C16H19BrN4O/c1-4-21(5-2)15-9-14(18-10-19-15)16(22)20-13-7-6-11(3)8-12(13)17/h6-10H,4-5H2,1-3H3,(H,20,22)
InChIKeySVPGEOQLHYDUCH-UHFFFAOYSA-N
MW363.26 g/mol
LogP3.65
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide

N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide (PubChem CID 109353355) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
PubChem CID109353355
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC NameN-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
SMILESCCN(CC)c1cc(C(=O)Nc2ccc(C)cc2Br)ncn1
InChIInChI=1S/C16H19BrN4O/c1-4-21(5-2)15-9-14(18-10-19-15)16(22)20-13-7-6-11(3)8-12(13)17/h6-10H,4-5H2,1-3H3,(H,20,22)
InChIKeySVPGEOQLHYDUCH-UHFFFAOYSA-N
XLogP3.65
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromo-4-methylphenyl)-6-ethoxypyrimidine-4-carboxamide
CID 91816313
6-(diethylamino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109353293
N-(2-bromo-4-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354489
N-(3-bromophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353354
2-N-(2-bromo-4-methylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088863
6-[butyl(methyl)amino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109354637
N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167981
N-(3-acetamidophenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353335
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353375
6-[benzyl(ethyl)amino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109349416
4-amino-N-(2-bromo-4-methylphenyl)pyridine-2-carboxamide
CID 62153202
N-(3-acetylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353333

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide (CID 109353355) is N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide is CCN(CC)c1cc(C(=O)Nc2ccc(C)cc2Br)ncn1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
The InChIKey is SVPGEOQLHYDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-4-21(5-2)15-9-14(18-10-19-15)16(22)20-13-7-6-11(3)8-12(13)17/h6-10H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide has a molecular weight of 363.26 g/mol, XLogP of 3.65, 5 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-(diethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109353355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).