N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide

C21H22N4O2 — CID 112853236

IUPACN-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2cccc(C)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-15-7-6-10-17(13-15)23-19-14-18(21(26)22-11-12-27-2)24-20(25-19)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyJGQRHAGRTDAWLS-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.57
Rot. Bonds7

About N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide

N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853236) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853236
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2cccc(C)c2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-15-7-6-10-17(13-15)23-19-14-18(21(26)22-11-12-27-2)24-20(25-19)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,23,24,25)
InChIKeyJGQRHAGRTDAWLS-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]-2-phenylpyrimidine-4-carboxamide
CID 112853283
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
6-anilino-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851408
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
6-(3-chloroanilino)-2-phenyl-N-propylpyrimidine-4-carboxamide
CID 112851418
6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
CID 112853384
6-(butan-2-ylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112852490
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763
N-(2-methoxyethyl)-6-[(4-methoxyphenyl)methylamino]-2-phenylpyrimidine-4-carboxamide
CID 112853211
4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880351
methyl 3-[[6-(2-methoxyethylamino)-2-phenylpyrimidin-4-yl]amino]benzoate
CID 112880344

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide (CID 112853236) is N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide is COCCNC(=O)c1cc(Nc2cccc(C)c2)nc(-c2ccccc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is JGQRHAGRTDAWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-15-7-6-10-17(13-15)23-19-14-18(21(26)22-11-12-27-2)24-20(25-19)16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)(H,23,24,25).
What are the key properties of N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide?
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).