N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide

C22H24N4O3 — CID 109370402

IUPACN-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(NCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C22H24N4O3/c1-4-29-20-8-6-5-7-18(20)26-22(27)19-13-21(25-15(2)24-19)23-14-16-9-11-17(28-3)12-10-16/h5-13H,4,14H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyBXDKWUWTQJBESO-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.06
Rot. Bonds8

About N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide

N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide (PubChem CID 109370402) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
PubChem CID109370402
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cc(NCc2ccc(OC)cc2)nc(C)n1
InChIInChI=1S/C22H24N4O3/c1-4-29-20-8-6-5-7-18(20)26-22(27)19-13-21(25-15(2)24-19)23-14-16-9-11-17(28-3)12-10-16/h5-13H,4,14H2,1-3H3,(H,26,27)(H,23,24,25)
InChIKeyBXDKWUWTQJBESO-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

6-(benzylamino)-N-(2-ethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368315
6-(benzylamino)-N-(2,5-dimethoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368320
N-(2,5-dimethoxyphenyl)-6-[(4-fluorophenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369822
N-[(2-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370274
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347
N-[(2-fluorophenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109369650
6-(benzylamino)-N-(2,3-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109368287
6-(benzylamino)-N-(2-ethoxyphenyl)pyridazine-3-carboxamide
CID 109117781
N-(2-ethoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281748
N'-(2-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2273905
N-(2-cyanophenyl)-6-[2-(4-methoxyphenyl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372201
N-ethyl-6-[(4-methoxyphenyl)methylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109370385

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide (CID 109370402) is N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1cc(NCc2ccc(OC)cc2)nc(C)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
The InChIKey is BXDKWUWTQJBESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-4-29-20-8-6-5-7-18(20)26-22(27)19-13-21(25-15(2)24-19)23-14-16-9-11-17(28-3)12-10-16/h5-13H,4,14H2,1-3H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-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-(2-ethoxyphenyl)-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109370402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).