2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide

C17H22N4O3 — CID 109300175

IUPAC2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C17H22N4O3/c1-23-11-3-9-18-16(22)15-8-10-19-17(21-15)20-12-13-4-6-14(24-2)7-5-13/h4-8,10H,3,9,11-12H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyZZBAVFGDVOPYSP-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.86
Rot. Bonds9

About 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide

2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide (PubChem CID 109300175) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
PubChem CID109300175
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCc2ccc(OC)cc2)n1
InChIInChI=1S/C17H22N4O3/c1-23-11-3-9-18-16(22)15-8-10-19-17(21-15)20-12-13-4-6-14(24-2)7-5-13/h4-8,10H,3,9,11-12H2,1-2H3,(H,18,22)(H,19,20,21)
InChIKeyZZBAVFGDVOPYSP-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
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

N-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-[(4-methoxyphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109306340
N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296702
2-[2-(4-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109308814
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300183
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
N-butyl-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109296526
2-(2-methoxyethylamino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109299616
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
N-[2-(3-methoxyphenyl)ethyl]-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307461
6-N-[2-(4-methoxyphenyl)ethyl]-2-N-(3-methoxypropyl)pyridine-2,6-dicarboxamide
CID 109095851

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide (CID 109300175) is 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide is COCCCNC(=O)c1ccnc(NCc2ccc(OC)cc2)n1.
What is the InChIKey of 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The InChIKey is ZZBAVFGDVOPYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-11-3-9-18-16(22)15-8-10-19-17(21-15)20-12-13-4-6-14(24-2)7-5-13/h4-8,10H,3,9,11-12H2,1-2H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).