2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide

C17H21FN4O2 — CID 109300183

IUPAC2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCCc2ccccc2F)n1
InChIInChI=1S/C17H21FN4O2/c1-24-12-4-9-19-16(23)15-8-11-21-17(22-15)20-10-7-13-5-2-3-6-14(13)18/h2-3,5-6,8,11H,4,7,9-10,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyXYGBUJFBQHDBOC-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.04
Rot. Bonds9

About 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide

2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide (PubChem CID 109300183) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
PubChem CID109300183
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1ccnc(NCCc2ccccc2F)n1
InChIInChI=1S/C17H21FN4O2/c1-24-12-4-9-19-16(23)15-8-11-21-17(22-15)20-10-7-13-5-2-3-6-14(13)18/h2-3,5-6,8,11H,4,7,9-10,12H2,1H3,(H,19,23)(H,20,21,22)
InChIKeyXYGBUJFBQHDBOC-UHFFFAOYSA-N
XLogP2.04
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.04
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-(3-methoxypropyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109299972
2-[2-(2-fluorophenyl)ethylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109295360
N-[(2-fluorophenyl)methyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109305399
N-[2-(2-fluorophenyl)ethyl]-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296732
2-(2,6-difluoroanilino)-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300332
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
2-[(4-methoxyphenyl)methylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide
CID 109300175
N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296702
2-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-phenylpyrimidine-4-carboxamide
CID 109308221
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630
2-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305508

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide (CID 109300183) is 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide is COCCCNC(=O)c1ccnc(NCCc2ccccc2F)n1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
The InChIKey is XYGBUJFBQHDBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-24-12-4-9-19-16(23)15-8-11-21-17(22-15)20-10-7-13-5-2-3-6-14(13)18/h2-3,5-6,8,11H,4,7,9-10,12H2,1H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide?
2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109300183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).