N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide

C16H19FN4O — CID 109354441

IUPACN-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2ccccc2F)ncn1
InChIInChI=1S/C16H19FN4O/c1-2-3-6-9-18-15-10-14(19-11-20-15)16(22)21-13-8-5-4-7-12(13)17/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyQNCZYJBOEIBBFN-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.47
Rot. Bonds7

About N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide

N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide (PubChem CID 109354441) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
PubChem CID109354441
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC NameN-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide
SMILESCCCCCNc1cc(C(=O)Nc2ccccc2F)ncn1
InChIInChI=1S/C16H19FN4O/c1-2-3-6-9-18-15-10-14(19-11-20-15)16(22)21-13-8-5-4-7-12(13)17/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,21,22)(H,18,19,20)
InChIKeyQNCZYJBOEIBBFN-UHFFFAOYSA-N
XLogP3.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-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

N-(5-chloro-2-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354447
6-(benzylamino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109346544
N-(2-bromo-4-methylphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354489
6-[2-(2-fluorophenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109350857
N-(2-fluorophenyl)-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351447
6-(butylamino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109339923
N-(5-chloro-2-methoxyphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354452
5-(butylamino)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109180924
6-(pentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109354484
6-(butylamino)-N-(2-fluorophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112852260
N-(2-tert-butylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
CID 109338352
6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109342577

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide (CID 109354441) is N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide is CCCCCNc1cc(C(=O)Nc2ccccc2F)ncn1.
What is the InChIKey of N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide?
The InChIKey is QNCZYJBOEIBBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-2-3-6-9-18-15-10-14(19-11-20-15)16(22)21-13-8-5-4-7-12(13)17/h4-5,7-8,10-11H,2-3,6,9H2,1H3,(H,21,22)(H,18,19,20).
What are the key properties of N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide?
N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-(pentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).