2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 109311065

IUPAC2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-27-19-12-6-5-11-17(19)24-21-23-15-13-18(25-21)20(26)22-14-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-13,15H,7,10,14H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyMITUYYPHEWJGJF-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.59
Rot. Bonds8

About 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide

2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109311065) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109311065
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1nccc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C21H22N4O2/c1-27-19-12-6-5-11-17(19)24-21-23-15-13-18(25-21)20(26)22-14-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-13,15H,7,10,14H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyMITUYYPHEWJGJF-UHFFFAOYSA-N
XLogP3.59
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.59
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

2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311044
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
N-[2-(dimethylamino)ethyl]-2-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109301340
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
2-(3-chloro-2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311058
2-(2-fluoroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109308648
2-N-(2-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089048
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
6-N-(2-methoxyphenyl)-2-N-(2-phenylethyl)pyridine-2,6-dicarboxamide
CID 109098461
2-(2-methoxyanilino)-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109313739
2-(2-propan-2-yloxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295056

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109311065) is 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is COc1ccccc1Nc1nccc(C(=O)NCCCc2ccccc2)n1.
What is the InChIKey of 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is MITUYYPHEWJGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-27-19-12-6-5-11-17(19)24-21-23-15-13-18(25-21)20(26)22-14-7-10-16-8-3-2-4-9-16/h2-6,8-9,11-13,15H,7,10,14H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.59, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).