2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide

C22H24N4O2 — CID 72868931

IUPAC2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide
SMILESCc1cccc(OCCCN(C)C(=O)c2cnc(Nc3ccccc3)nc2)c1
InChIInChI=1S/C22H24N4O2/c1-17-8-6-11-20(14-17)28-13-7-12-26(2)21(27)18-15-23-22(24-16-18)25-19-9-4-3-5-10-19/h3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,23,24,25)
InChIKeyCQMKZZFHSVJEIR-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.07
Rot. Bonds8

About 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide

2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide (PubChem CID 72868931) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide
PubChem CID72868931
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide
SMILESCc1cccc(OCCCN(C)C(=O)c2cnc(Nc3ccccc3)nc2)c1
InChIInChI=1S/C22H24N4O2/c1-17-8-6-11-20(14-17)28-13-7-12-26(2)21(27)18-15-23-22(24-16-18)25-19-9-4-3-5-10-19/h3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,23,24,25)
InChIKeyCQMKZZFHSVJEIR-UHFFFAOYSA-N
XLogP4.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.07
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-acetamido-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27447007
N,2,6-trimethyl-N-[3-(3-methylphenoxy)propyl]quinoline-4-carboxamide
CID 70723101
methyl 4-[[5-[butyl(methyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109263930
2-(3-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259417
2-[benzoyl(methyl)amino]ethyl-diethyl-[2-(3-methylphenoxy)ethyl]azanium iodide
CID 157279013
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
N-butyl-2-(2-methoxy-5-methylanilino)-N-methylpyrimidine-5-carboxamide
CID 109263915
2-(4-bromo-3-methylanilino)-N-butyl-N-methylpyrimidine-5-carboxamide
CID 109263948
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
N-methyl-N-(3-phenoxypropyl)-4-(phenylsulfamoyl)benzamide
CID 38579965
5-bromo-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-2-carboxamide
CID 62954256

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide (CID 72868931) is 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide is Cc1cccc(OCCCN(C)C(=O)c2cnc(Nc3ccccc3)nc2)c1.
What is the InChIKey of 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide?
The InChIKey is CQMKZZFHSVJEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17-8-6-11-20(14-17)28-13-7-12-26(2)21(27)18-15-23-22(24-16-18)25-19-9-4-3-5-10-19/h3-6,8-11,14-16H,7,12-13H2,1-2H3,(H,23,24,25).
What are the key properties of 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide?
2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72868931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).