N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109365314

IUPACN-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccccc2Oc2ccccc2)nc(C)n1
InChIInChI=1S/C22H24N4O3/c1-16-24-19(22(27)23-13-8-14-28-2)15-21(25-16)26-18-11-6-7-12-20(18)29-17-9-4-3-5-10-17/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVQXGEDVJNXUDII-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.09
Rot. Bonds9

About N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide

N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109365314) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
PubChem CID109365314
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(Nc2ccccc2Oc2ccccc2)nc(C)n1
InChIInChI=1S/C22H24N4O3/c1-16-24-19(22(27)23-13-8-14-28-2)15-21(25-16)26-18-11-6-7-12-20(18)29-17-9-4-3-5-10-17/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,23,27)(H,24,25,26)
InChIKeyVQXGEDVJNXUDII-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
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-(2-chloroanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365257
2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361525
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846855
N-(3-methoxypropyl)-5-(2-phenoxyanilino)pyridine-3-carboxamide
CID 109228165
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
2-methyl-6-(2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109373582
methyl 3-[[6-(3-methoxypropylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 109365289
6-(2,3-dimethylanilino)-N-(3-methoxypropyl)-2-phenylpyrimidine-4-carboxamide
CID 112853384
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
N-(3-methoxypropyl)-2-methyl-6-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109365172
6-methyl-2-(2-phenoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109319229

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide (CID 109365314) is N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide is COCCCNC(=O)c1cc(Nc2ccccc2Oc2ccccc2)nc(C)n1.
What is the InChIKey of N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is VQXGEDVJNXUDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16-24-19(22(27)23-13-8-14-28-2)15-21(25-16)26-18-11-6-7-12-20(18)29-17-9-4-3-5-10-17/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,23,27)(H,24,25,26).
What are the key properties of N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide?
N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109365314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).