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

C19H16BrN3O2 — CID 121167981

IUPACN-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(OCc3ccccc3)ncn2)c(Br)c1
InChIInChI=1S/C19H16BrN3O2/c1-13-7-8-16(15(20)9-13)23-19(24)17-10-18(22-12-21-17)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyMKHCRKZTVLAJAW-UHFFFAOYSA-N
MW398.26 g/mol
LogP4.38
Rot. Bonds5

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

N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide (PubChem CID 121167981) has the molecular formula C19H16BrN3O2 and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
PubChem CID121167981
Molecular FormulaC19H16BrN3O2
Molecular Weight398.26 g/mol
Exact Mass397.04
IUPAC NameN-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(OCc3ccccc3)ncn2)c(Br)c1
InChIInChI=1S/C19H16BrN3O2/c1-13-7-8-16(15(20)9-13)23-19(24)17-10-18(22-12-21-17)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,23,24)
InChIKeyMKHCRKZTVLAJAW-UHFFFAOYSA-N
XLogP4.38
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-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
ethyl 2-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167835
N-naphthalen-1-yl-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167837
N-(2-bromophenyl)-6-ethoxypyrimidine-4-carboxamide
CID 121167671
N-(6-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167810
N-(3-methyl-2-pyridinyl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167809
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-phenylmethoxypyrimidine-4-carboxamide
CID 121167926
methyl 4-[(6-phenylmethoxypyrimidine-4-carbonyl)amino]benzoate
CID 121167799
N-(2-bromo-4-methylphenyl)-6-(diethylamino)pyrimidine-4-carboxamide
CID 109353355
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 91816331
2-(benzylamino)-N-(2-bromo-4-methylphenyl)pyrimidine-4-carboxamide
CID 109303716

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide (CID 121167981) is N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2cc(OCc3ccccc3)ncn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide?
The InChIKey is MKHCRKZTVLAJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O2/c1-13-7-8-16(15(20)9-13)23-19(24)17-10-18(22-12-21-17)25-11-14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,23,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide?
N-(2-bromo-4-methylphenyl)-6-phenylmethoxypyrimidine-4-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 4.38, 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-phenylmethoxypyrimidine-4-carboxamide is sourced from PubChem (CID 121167981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).