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

C22H24N4O — CID 109311044

IUPAC2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-2-18-12-6-7-13-19(18)25-22-24-16-14-20(26-22)21(27)23-15-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-14,16H,2,8,11,15H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyQQYVLJHTLCMFTI-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.15
Rot. Bonds8

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

2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (PubChem CID 109311044) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
PubChem CID109311044
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)NCCCc2ccccc2)n1
InChIInChI=1S/C22H24N4O/c1-2-18-12-6-7-13-19(18)25-22-24-16-14-20(26-22)21(27)23-15-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-14,16H,2,8,11,15H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyQQYVLJHTLCMFTI-UHFFFAOYSA-N
XLogP4.15
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311065
2-(3-chloro-2-methylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109311058
N-(2-ethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310966
2-(2-ethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307652
2-(2-ethoxyanilino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307935
2-(2-ethylanilino)-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109314288
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
N-[2-(2-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308618
N-butyl-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109296685
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
N-(2-tert-butylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310973

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide (CID 109311044) is 2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is CCc1ccccc1Nc1nccc(C(=O)NCCCc2ccccc2)n1.
What is the InChIKey of 2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
The InChIKey is QQYVLJHTLCMFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-18-12-6-7-13-19(18)25-22-24-16-14-20(26-22)21(27)23-15-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-14,16H,2,8,11,15H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide?
2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-(3-phenylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).