6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide

C18H23FN4O — CID 109350857

IUPAC6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C18H23FN4O/c1-2-3-6-10-21-18(24)16-12-17(23-13-22-16)20-11-9-14-7-4-5-8-15(14)19/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyCLWNNBBEUMPOTR-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.19
Rot. Bonds9

About 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide

6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide (PubChem CID 109350857) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
PubChem CID109350857
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
SMILESCCCCCNC(=O)c1cc(NCCc2ccccc2F)ncn1
InChIInChI=1S/C18H23FN4O/c1-2-3-6-10-21-18(24)16-12-17(23-13-22-16)20-11-9-14-7-4-5-8-15(14)19/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyCLWNNBBEUMPOTR-UHFFFAOYSA-N
XLogP3.19
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350845
6-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354441
4-N-[2-(2-fluorophenyl)ethyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109087942
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
6-[2-(dimethylamino)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109344114
N-butyl-6-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109340028
6-(butylamino)-N-propylpyrimidine-4-carboxamide
CID 109338441
6-[(4-chlorophenyl)methylamino]-N-pentylpyrimidine-4-carboxamide
CID 109348691

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide (CID 109350857) is 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide is CCCCCNC(=O)c1cc(NCCc2ccccc2F)ncn1.
What is the InChIKey of 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
The InChIKey is CLWNNBBEUMPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-2-3-6-10-21-18(24)16-12-17(23-13-22-16)20-11-9-14-7-4-5-8-15(14)19/h4-5,7-8,12-13H,2-3,6,9-11H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide?
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide is sourced from PubChem (CID 109350857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).