N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide

C22H24N4O2 — CID 109248589

IUPACN-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C22H24N4O2/c1-16(2)12-23-21(27)18-13-24-22(25-14-18)26-19-8-10-20(11-9-19)28-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyFRRZEQZHUCVIGE-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.18
Rot. Bonds8

About N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide

N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109248589) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
PubChem CID109248589
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
SMILESCC(C)CNC(=O)c1cnc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C22H24N4O2/c1-16(2)12-23-21(27)18-13-24-22(25-14-18)26-19-8-10-20(11-9-19)28-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyFRRZEQZHUCVIGE-UHFFFAOYSA-N
XLogP4.18
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-anilino-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248518
N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109251815
2-(4-ethylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248532
2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263593
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699
2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263041
2-(3-bromo-4-methylanilino)-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248556
ethyl 4-[[5-(benzylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109255349
2-anilino-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 97444562
2-(4-acetamidoanilino)-N-benzylpyrimidine-5-carboxamide
CID 109255327
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
N-(2-methylpropyl)-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109248455

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide (CID 109248589) is N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide is CC(C)CNC(=O)c1cnc(Nc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is FRRZEQZHUCVIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)12-23-21(27)18-13-24-22(25-14-18)26-19-8-10-20(11-9-19)28-15-17-6-4-3-5-7-17/h3-11,13-14,16H,12,15H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide?
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).