N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide

C22H24N4O3 — CID 112853211

IUPACN-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(NCc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-28-13-12-23-22(27)19-14-20(24-15-16-8-10-18(29-2)11-9-16)26-21(25-19)17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyOLVSUGXXNKMDGJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.14
Rot. Bonds9

About N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide

N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853211) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
PubChem CID112853211
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(NCc2ccc(OC)cc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H24N4O3/c1-28-13-12-23-22(27)19-14-20(24-15-16-8-10-18(29-2)11-9-16)26-21(25-19)17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyOLVSUGXXNKMDGJ-UHFFFAOYSA-N
XLogP3.14
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-[(4-methoxyphenyl)methylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851378
N-[(4-fluorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853112
N-[(4-chlorophenyl)methyl]-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853114
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
6-(2-methoxyethylamino)-N-(3-methylbutyl)-2-phenylpyrimidine-4-carboxamide
CID 112853132
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112853283
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
N-[2-(3-methoxyphenyl)ethyl]-2-phenyl-6-(propylamino)pyrimidine-4-carboxamide
CID 112851276
6-[2-(3-methoxyphenyl)ethylamino]-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851389
N-tert-butyl-6-(2-methoxyethylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853130

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide (CID 112853211) is N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide is COCCNC(=O)c1cc(NCc2ccc(OC)cc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
The InChIKey is OLVSUGXXNKMDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-13-12-23-22(27)19-14-20(24-15-16-8-10-18(29-2)11-9-16)26-21(25-19)17-6-4-3-5-7-17/h3-11,14H,12-13,15H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide?
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.14, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).