N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide

C21H22N4O2 — CID 109255947

IUPACN-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(NCc3cccc(C)c3)nc2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-4-3-5-17(10-15)12-23-21-24-13-18(14-25-21)20(26)22-11-16-6-8-19(27-2)9-7-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyBTUGDJAYCIBKAM-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.34
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide

N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109255947) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109255947
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2cnc(NCc3cccc(C)c3)nc2)cc1
InChIInChI=1S/C21H22N4O2/c1-15-4-3-5-17(10-15)12-23-21-24-13-18(14-25-21)20(26)22-11-16-6-8-19(27-2)9-7-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyBTUGDJAYCIBKAM-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808
2-[2-(3-methoxyphenyl)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256093
2-[2-(4-methoxyphenoxy)ethylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256110
N-[(4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210281
2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 90099980
N-[2-(4-methoxyphenyl)ethyl]-6-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109155812
N-[(3-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
CID 20959741
2-[4-[(4-methoxyphenyl)methylamino]phenyl]-N-[(3-methylphenyl)methyl]acetamide
CID 42852652
2-[(4-methoxyphenyl)methylamino]-N-(3-phenylpropyl)pyrimidine-5-carboxamide
CID 109258095
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
2-[2-(2-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255820

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide (CID 109255947) is N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide is COc1ccc(CNC(=O)c2cnc(NCc3cccc(C)c3)nc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is BTUGDJAYCIBKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-4-3-5-17(10-15)12-23-21-24-13-18(14-25-21)20(26)22-11-16-6-8-19(27-2)9-7-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide?
N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109255947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).