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

C16H17F3N4O2 — CID 109251794

IUPACN-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C16H17F3N4O2/c1-25-8-4-7-20-14(24)11-9-21-15(22-10-11)23-13-6-3-2-5-12(13)16(17,18)19/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyXVQDQZKMSMXCIB-UHFFFAOYSA-N
MW354.33 g/mol
LogP3.01
Rot. Bonds7

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

N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (PubChem CID 109251794) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
PubChem CID109251794
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC NameN-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
SMILESCOCCCNC(=O)c1cnc(Nc2ccccc2C(F)(F)F)nc1
InChIInChI=1S/C16H17F3N4O2/c1-25-8-4-7-20-14(24)11-9-21-15(22-10-11)23-13-6-3-2-5-12(13)16(17,18)19/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyXVQDQZKMSMXCIB-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'}

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Related Compounds

2-(2-cyanoanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251843
N-(3-methoxypropyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109251795
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109247396
6-(2-fluoroanilino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153355
2-(3-acetylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251797
N-(3-methoxypropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109251815
2-(2-cyanoanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270003
N-(3-methoxypropyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 51171639
N-(2-methoxyethyl)-2-(3-methoxypropylamino)pyrimidine-5-carboxamide
CID 109251301
2-[(2-fluorophenyl)methylamino]-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109257093
2-(2,4-difluoroanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109270001
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251840

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide (CID 109251794) is N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is COCCCNC(=O)c1cnc(Nc2ccccc2C(F)(F)F)nc1.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
The InChIKey is XVQDQZKMSMXCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c1-25-8-4-7-20-14(24)11-9-21-15(22-10-11)23-13-6-3-2-5-12(13)16(17,18)19/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-(3-methoxypropyl)-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide?
N-(3-methoxypropyl)-2-[2-(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-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109251794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).