N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

C21H22N4O — CID 109327222

IUPACN-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-16-14-19(20(26)23-15-18-10-6-3-7-11-18)25-21(24-16)22-13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyLLZMUTSWZQCXHX-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.37
Rot. Bonds7

About N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide

N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (PubChem CID 109327222) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
PubChem CID109327222
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC NameN-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2)nc(NCCc2ccccc2)n1
InChIInChI=1S/C21H22N4O/c1-16-14-19(20(26)23-15-18-10-6-3-7-11-18)25-21(24-16)22-13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyLLZMUTSWZQCXHX-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-[(2-fluorophenyl)methyl]-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109328531
N-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109329427
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109329174
N-[(2-chlorophenyl)methyl]-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109328902
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327477
2-[2-(4-chlorophenyl)ethylamino]-N-[(2-fluorophenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109328541
N-(4-tert-butylphenyl)-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330392
2-(benzylamino)-N-[2-(3-methoxyphenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109327090
2-[2-(4-fluorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109329169
6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109330438
N-[2-(4-fluorophenyl)ethyl]-2-[(4-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109328635
N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319665

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide (CID 109327222) is N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccc2)nc(NCCc2ccccc2)n1.
What is the InChIKey of N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
The InChIKey is LLZMUTSWZQCXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16-14-19(20(26)23-15-18-10-6-3-7-11-18)25-21(24-16)22-13-12-17-8-4-2-5-9-17/h2-11,14H,12-13,15H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide?
N-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-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-benzyl-6-methyl-2-(2-phenylethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109327222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).