N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C23H26N4O — CID 109259557

IUPACN-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C23H26N4O/c1-23(2,3)19-11-7-8-12-20(19)27-21(28)18-15-25-22(26-16-18)24-14-13-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyLEPCSSWALVPBSJ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.68
Rot. Bonds6

About N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109259557) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109259557
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1cnc(NCCc2ccccc2)nc1
InChIInChI=1S/C23H26N4O/c1-23(2,3)19-11-7-8-12-20(19)27-21(28)18-15-25-22(26-16-18)24-14-13-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,27,28)(H,24,25,26)
InChIKeyLEPCSSWALVPBSJ-UHFFFAOYSA-N
XLogP4.68
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
N-(2-cyanophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259614
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
N-(2-tert-butylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247172
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588
N-(2-tert-butylphenyl)-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257067
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
2-(2-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109259586
N-(3-methylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259537
N-(3-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259587

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109259557) is N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is CC(C)(C)c1ccccc1NC(=O)c1cnc(NCCc2ccccc2)nc1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is LEPCSSWALVPBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-23(2,3)19-11-7-8-12-20(19)27-21(28)18-15-25-22(26-16-18)24-14-13-17-9-5-4-6-10-17/h4-12,15-16H,13-14H2,1-3H3,(H,27,28)(H,24,25,26).
What are the key properties of N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109259557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).