N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide

C22H24N4O3 — CID 20959868

IUPACN-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(NCc3ccccc3OC)nc2C)cc1
InChIInChI=1S/C22H24N4O3/c1-4-29-18-11-9-17(10-12-18)26-21(27)19-14-24-22(25-15(19)2)23-13-16-7-5-6-8-20(16)28-3/h5-12,14H,4,13H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyRYFXCZIVSQASIC-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.06
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide

N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide (PubChem CID 20959868) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
PubChem CID20959868
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(NCc3ccccc3OC)nc2C)cc1
InChIInChI=1S/C22H24N4O3/c1-4-29-18-11-9-17(10-12-18)26-21(27)19-14-24-22(25-15(19)2)23-13-16-7-5-6-8-20(16)28-3/h5-12,14H,4,13H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyRYFXCZIVSQASIC-UHFFFAOYSA-N
XLogP4.06
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2-fluorophenyl)methylamino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]pyrimidine-5-carboxamide
CID 46345694
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109257950
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
ethyl N-[5-[(2-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027367
2-ethoxy-N-(4-methoxyphenyl)benzamide
CID 5019237
N-(4-methoxyphenyl)-4-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109212111
2-[(2-methoxyphenyl)methylamino]-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109257924
6-(4-ethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109157190
2-(4-methoxyphenyl)-N-[6-[(2-methoxyphenyl)methylamino]-3-pyridinyl]acetamide
CID 113012370
2-N-(4-ethoxyphenyl)-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892199
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
N-(4-ethoxyphenyl)-2-methylbenzamide
CID 710558

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide (CID 20959868) is N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(NCc3ccccc3OC)nc2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide?
The InChIKey is RYFXCZIVSQASIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-29-18-11-9-17(10-12-18)26-21(27)19-14-24-22(25-15(19)2)23-13-16-7-5-6-8-20(16)28-3/h5-12,14H,4,13H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide?
N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 20959868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).