N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

C21H22N4O2 — CID 109303992

IUPACN-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NCc2ccccc2C)n1
InChIInChI=1S/C21H22N4O2/c1-3-27-19-11-7-6-10-17(19)24-20(26)18-12-13-22-21(25-18)23-14-16-9-5-4-8-15(16)2/h4-13H,3,14H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyWPEKEPRNPXAGHZ-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.05
Rot. Bonds7

About N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109303992) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109303992
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NCc2ccccc2C)n1
InChIInChI=1S/C21H22N4O2/c1-3-27-19-11-7-6-10-17(19)24-20(26)18-12-13-22-21(25-18)23-14-16-9-5-4-8-15(16)2/h4-13H,3,14H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKeyWPEKEPRNPXAGHZ-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
N-(2-ethoxyphenyl)-4-[(2-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210117
2-[(2-methylphenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109303969
N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300089
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
N-(2-ethoxyphenyl)-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109316179
6-N-(2-ethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100070
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306192
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109303992) is N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(NCc2ccccc2C)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is WPEKEPRNPXAGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-3-27-19-11-7-6-10-17(19)24-20(26)18-12-13-22-21(25-18)23-14-16-9-5-4-8-15(16)2/h4-13H,3,14H2,1-2H3,(H,24,26)(H,22,23,25).
What are the key properties of N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109303992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).