N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide

C17H22N4O3 — CID 109300089

IUPACN-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NCCCOC)n1
InChIInChI=1S/C17H22N4O3/c1-3-24-15-8-5-4-7-13(15)20-16(22)14-9-11-19-17(21-14)18-10-6-12-23-2/h4-5,7-9,11H,3,6,10,12H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyWWEPMUZGQHHEFV-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.58
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide

N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (PubChem CID 109300089) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
PubChem CID109300089
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccnc(NCCCOC)n1
InChIInChI=1S/C17H22N4O3/c1-3-24-15-8-5-4-7-13(15)20-16(22)14-9-11-19-17(21-14)18-10-6-12-23-2/h4-5,7-9,11H,3,6,10,12H2,1-2H3,(H,20,22)(H,18,19,21)
InChIKeyWWEPMUZGQHHEFV-UHFFFAOYSA-N
XLogP2.58
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxypropylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300132
N-(2-ethoxyphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303992
2-(butylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109296477
N-(2-chlorophenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299706
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109317827
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109316584
N-(2-ethoxyphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304797
N-(2-ethylphenyl)-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308577
6-N-(2-ethoxyphenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095757
2-(3-methoxypropylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109299997

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide (CID 109300089) is N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is CCOc1ccccc1NC(=O)c1ccnc(NCCCOC)n1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
The InChIKey is WWEPMUZGQHHEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-24-15-8-5-4-7-13(15)20-16(22)14-9-11-19-17(21-14)18-10-6-12-23-2/h4-5,7-9,11H,3,6,10,12H2,1-2H3,(H,20,22)(H,18,19,21).
What are the key properties of N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide?
N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).