N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

C17H22N4O2 — CID 109299782

IUPACN-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCCOC)n1)c1cccc(C)c1
InChIInChI=1S/C17H22N4O2/c1-4-21(14-7-5-6-13(2)12-14)16(22)15-8-9-18-17(20-15)19-10-11-23-3/h5-9,12H,4,10-11H2,1-3H3,(H,18,19,20)
InChIKeyZVRHLKCAHWUTMC-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.51
Rot. Bonds7

About N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide

N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109299782) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109299782
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(C(=O)c1ccnc(NCCOC)n1)c1cccc(C)c1
InChIInChI=1S/C17H22N4O2/c1-4-21(14-7-5-6-13(2)12-14)16(22)15-8-9-18-17(20-15)19-10-11-23-3/h5-9,12H,4,10-11H2,1-3H3,(H,18,19,20)
InChIKeyZVRHLKCAHWUTMC-UHFFFAOYSA-N
XLogP2.51
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.51
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

N-ethyl-2-(3-methoxypropylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109300149
N-ethyl-N-(3-methylphenyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109296103
N-ethyl-N-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307019
2-(2,5-dimethylanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109314893
N-ethyl-2-(3-methylanilino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109313892
N-ethyl-6-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109342915
2-(3,4-dimethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109318089
2-(2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109317817
N-ethyl-2-(N-ethyl-3-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109315921
2-[3-(dimethylamino)propylamino]-N-ethyl-N-phenylpyrimidine-4-carboxamide
CID 109301765
4-N-tert-butyl-2-N-ethyl-2-N-(3-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089233
6-amino-N-ethyl-N-(3-methylphenyl)pyridine-2-carboxamide
CID 62239482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide (CID 109299782) is N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is CCN(C(=O)c1ccnc(NCCOC)n1)c1cccc(C)c1.
What is the InChIKey of N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZVRHLKCAHWUTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-4-21(14-7-5-6-13(2)12-14)16(22)15-8-9-18-17(20-15)19-10-11-23-3/h5-9,12H,4,10-11H2,1-3H3,(H,18,19,20).
What are the key properties of N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide?
N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyethylamino)-N-(3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109299782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).