2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide

C22H24N4O2 — CID 109263041

IUPAC2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)26-21-23-13-17(14-24-21)20(27)25-18-9-11-19(12-10-18)28-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyLUMODGBNHULSBI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.52
Rot. Bonds6

About 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide

2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109263041) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109263041
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)(C)Nc1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)26-21-23-13-17(14-24-21)20(27)25-18-9-11-19(12-10-18)28-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3,(H,25,27)(H,23,24,26)
InChIKeyLUMODGBNHULSBI-UHFFFAOYSA-N
XLogP4.52
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-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

2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263593
2-(tert-butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109263016
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109262998
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide
CID 109263032
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
N'-tert-butyl-N-(4-phenylmethoxyphenyl)propanediamide
CID 108951508
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide (CID 109263041) is 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide is CC(C)(C)Nc1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1.
What is the InChIKey of 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is LUMODGBNHULSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,3)26-21-23-13-17(14-24-21)20(27)25-18-9-11-19(12-10-18)28-15-16-7-5-4-6-8-16/h4-14H,15H2,1-3H3,(H,25,27)(H,23,24,26).
What are the key properties of 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide?
2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).