N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide

C21H22N4O — CID 109256088

IUPACN-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(NCCc3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O/c1-16-7-9-18(10-8-16)13-23-20(26)19-14-24-21(25-15-19)22-12-11-17-5-3-2-4-6-17/h2-10,14-15H,11-13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyGJTVGRXHWZDZNC-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.37
Rot. Bonds7

About N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide

N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide (PubChem CID 109256088) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
PubChem CID109256088
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
SMILESCc1ccc(CNC(=O)c2cnc(NCCc3ccccc3)nc2)cc1
InChIInChI=1S/C21H22N4O/c1-16-7-9-18(10-8-16)13-23-20(26)19-14-24-21(25-15-19)22-12-11-17-5-3-2-4-6-17/h2-10,14-15H,11-13H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyGJTVGRXHWZDZNC-UHFFFAOYSA-N
XLogP3.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109257138
N-benzyl-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-5-carboxamide
CID 109255233
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256093
N-(2-phenylethyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259381
2-(butylamino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109248261
2-(2-phenylethylamino)-N-propylpyrimidine-5-carboxamide
CID 109246506
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
2-(ethylamino)-N-[(4-phenylphenyl)methyl]pyrimidine-5-carboxamide
CID 72860213
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
2-(benzylamino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109255380
N-benzyl-2-[(4-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109255220
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide (CID 109256088) is N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide is Cc1ccc(CNC(=O)c2cnc(NCCc3ccccc3)nc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
The InChIKey is GJTVGRXHWZDZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-7-9-18(10-8-16)13-23-20(26)19-14-24-21(25-15-19)22-12-11-17-5-3-2-4-6-17/h2-10,14-15H,11-13H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide?
N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-(2-phenylethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109256088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).