2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

C18H24N4O2 — CID 109299885

IUPAC2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nccc(C(=O)NCCOC)n1
InChIInChI=1S/C18H24N4O2/c1-4-13-7-6-8-14(5-2)16(13)22-18-20-10-9-15(21-18)17(23)19-11-12-24-3/h6-10H,4-5,11-12H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyPCNZLPOIYAXXOA-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.72
Rot. Bonds8

About 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide

2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (PubChem CID 109299885) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
PubChem CID109299885
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(CC)c1Nc1nccc(C(=O)NCCOC)n1
InChIInChI=1S/C18H24N4O2/c1-4-13-7-6-8-14(5-2)16(13)22-18-20-10-9-15(21-18)17(23)19-11-12-24-3/h6-10H,4-5,11-12H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyPCNZLPOIYAXXOA-UHFFFAOYSA-N
XLogP2.72
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethyl-6-methylanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300244
2-(2,6-diethylanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306487
2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300332
N-tert-butyl-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109311340
N-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109301317
2-(3-chloro-2-methylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299894
2-(4-bromoanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109299902
2-(2,6-diethylanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109316253
2-(butan-2-ylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109297087
N-butyl-2-(2,6-difluoroanilino)pyrimidine-4-carboxamide
CID 109296690
N-(4-acetylphenyl)-2-(2,6-diethylanilino)pyrimidine-4-carboxamide
CID 109316255
2-(cyclopropylamino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide
CID 109295527

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide (CID 109299885) is 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is CCc1cccc(CC)c1Nc1nccc(C(=O)NCCOC)n1.
What is the InChIKey of 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
The InChIKey is PCNZLPOIYAXXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-13-7-6-8-14(5-2)16(13)22-18-20-10-9-15(21-18)17(23)19-11-12-24-3/h6-10H,4-5,11-12H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide?
2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylanilino)-N-(2-methoxyethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).