N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide

C18H24N4O2 — CID 109251583

IUPACN-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(NCCOC)nc1
InChIInChI=1S/C18H24N4O2/c1-4-13-7-6-8-14(5-2)16(13)22-17(23)15-11-20-18(21-12-15)19-9-10-24-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyAKCQGLBLGTVVOJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.91
Rot. Bonds8

About N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide

N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide (PubChem CID 109251583) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
PubChem CID109251583
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)c1cnc(NCCOC)nc1
InChIInChI=1S/C18H24N4O2/c1-4-13-7-6-8-14(5-2)16(13)22-17(23)15-11-20-18(21-12-15)19-9-10-24-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyAKCQGLBLGTVVOJ-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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

N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyridine-4-carboxamide
CID 109166921
4-N-(2,6-diethylphenyl)-1-N-(2-methoxyethyl)benzene-1,4-dicarboxamide
CID 109045164
N-(2,6-difluorophenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260319
N-butyl-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109248053
N-(2-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260301
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
N-(2,6-diethylphenyl)-2-(3-methoxypropylamino)pyridine-4-carboxamide
CID 109167233
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109267728
2-(2-ethyl-6-methylanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265294
N-(2-bromophenyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251998
N-(3-methoxyphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-5-carboxamide
CID 109260302

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide (CID 109251583) is N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide is CCc1cccc(CC)c1NC(=O)c1cnc(NCCOC)nc1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
The InChIKey is AKCQGLBLGTVVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-13-7-6-8-14(5-2)16(13)22-17(23)15-11-20-18(21-12-15)19-9-10-24-3/h6-8,11-12H,4-5,9-10H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide?
N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(2-methoxyethylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109251583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).