N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

C16H17F3N4O2 — CID 109251795

IUPACN-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H17F3N4O2/c1-25-7-3-6-20-14(24)11-9-21-15(22-10-11)23-13-5-2-4-12(8-13)16(17,18)19/h2,4-5,8-10H,3,6-7H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyXGDZIPJUCILPIW-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.01
Rot. Bonds7

About N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide

N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109251795) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109251795
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1
InChIInChI=1S/C16H17F3N4O2/c1-25-7-3-6-20-14(24)11-9-21-15(22-10-11)23-13-5-2-4-12(8-13)16(17,18)19/h2,4-5,8-10H,3,6-7H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyXGDZIPJUCILPIW-UHFFFAOYSA-N
XLogP3.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-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

2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251797
N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109256968
N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251794
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109166817
N-(3-methoxypropyl)-2-methyl-6-[3-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109365282
N-(3-methoxypropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 3114001
N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109269412
N-(3,5-dimethylphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109266873
N-(3-methoxypropyl)-4-[[2-[3-(trifluoromethyl)anilino]acetyl]amino]benzamide
CID 54833624
N-cycloheptyl-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109263138
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251823
N-(4-fluorophenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109268482

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109251795) is N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(Nc2cccc(C(F)(F)F)c2)nc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is XGDZIPJUCILPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-25-7-3-6-20-14(24)11-9-21-15(22-10-11)23-13-5-2-4-12(8-13)16(17,18)19/h2,4-5,8-10H,3,6-7H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109251795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).