6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide

C23H26N4O2 — CID 112853384

IUPAC6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2cccc(C)c2C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-16-9-7-12-19(17(16)2)25-21-15-20(23(28)24-13-8-14-29-3)26-22(27-21)18-10-5-4-6-11-18/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyACTFLFADNZVOCH-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.27
Rot. Bonds8

About 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide

6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide (PubChem CID 112853384) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
PubChem CID112853384
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2cccc(C)c2C)nc(-c2ccccc2)n1
InChIInChI=1S/C23H26N4O2/c1-16-9-7-12-19(17(16)2)25-21-15-20(23(28)24-13-8-14-29-3)26-22(27-21)18-10-5-4-6-11-18/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,24,28)(H,25,26,27)
InChIKeyACTFLFADNZVOCH-UHFFFAOYSA-N
XLogP4.27
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.27
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

6-(2,4-difluoroanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
CID 112853397
6-(2-cyanoanilino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853277
N-[2-(dimethylamino)ethyl]-6-(2-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853682
N-(2-methoxyethyl)-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112853236
N-butyl-6-(2-fluoroanilino)-2-phenylpyrimidine-4-carboxamide
CID 112852323
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-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365257
6-(2,3-dimethylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360277
N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
6-(benzylamino)-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853200
6-anilino-N-[3-(dimethylamino)propyl]-2-phenylpyrimidine-4-carboxamide
CID 112853763

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide (CID 112853384) is 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(Nc2cccc(C)c2C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide?
The InChIKey is ACTFLFADNZVOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-9-7-12-19(17(16)2)25-21-15-20(23(28)24-13-8-14-29-3)26-22(27-21)18-10-5-4-6-11-18/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,24,28)(H,25,26,27).
What are the key properties of 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide?
6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide is sourced from PubChem (CID 112853384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).