4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide

C23H26N4O2 — CID 42882431

IUPAC4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(-c2ccccc2)nc1N(C)c1ccc(C)cc1
InChIInChI=1S/C23H26N4O2/c1-17-10-12-19(13-11-17)27(2)22-20(23(28)24-14-7-15-29-3)16-25-21(26-22)18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,24,28)
InChIKeyBNPZLYXHMUNOOM-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.99
Rot. Bonds8

About 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide

4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide (PubChem CID 42882431) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide
PubChem CID42882431
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(-c2ccccc2)nc1N(C)c1ccc(C)cc1
InChIInChI=1S/C23H26N4O2/c1-17-10-12-19(13-11-17)27(2)22-20(23(28)24-14-7-15-29-3)16-25-21(26-22)18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,24,28)
InChIKeyBNPZLYXHMUNOOM-UHFFFAOYSA-N
XLogP3.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(N,4-dimethylanilino)-N-(3,4-dimethylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 46111496
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-(N,4-dimethylanilino)-2-phenylpyrimidine-5-carboxamide
CID 98640266
N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670889
4-amino-N-(3-ethoxypropyl)-2-phenylpyrimidine-5-carboxamide
CID 83567067
4-(dimethylamino)-N-(2-methylpropyl)-2-phenylpyrimidine-5-carboxamide
CID 42670139
4-amino-N-butyl-2-phenylpyrimidine-5-carboxamide
CID 83567065
4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 42670143
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
N-(3-methoxypropyl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 31813310
N-(cyclopropylmethyl)-4-(N-ethyl-3-methylanilino)-2-phenylpyrimidine-5-carboxamide
CID 42822223
2-(cyclohexylamino)-N-(3-methoxypropyl)-4-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 59421319
4-[methyl-(1-methylpiperidin-4-yl)amino]-2-phenyl-N-(2-piperidin-1-ylethyl)pyrimidine-5-carboxamide
CID 42882414

Frequently Asked Questions

What is the IUPAC name of 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide (CID 42882431) is 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(-c2ccccc2)nc1N(C)c1ccc(C)cc1.
What is the InChIKey of 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide?
The InChIKey is BNPZLYXHMUNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-10-12-19(13-11-17)27(2)22-20(23(28)24-14-7-15-29-3)16-25-21(26-22)18-8-5-4-6-9-18/h4-6,8-13,16H,7,14-15H2,1-3H3,(H,24,28).
What are the key properties of 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide?
4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N,4-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 42882431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).