6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

C18H21F3N4O2 — CID 174811478

IUPAC6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCCCN(C)c1cc(C(=O)NC(C)c2cccc(OC(F)(F)F)c2)ncn1
InChIInChI=1S/C18H21F3N4O2/c1-4-8-25(3)16-10-15(22-11-23-16)17(26)24-12(2)13-6-5-7-14(9-13)27-18(19,20)21/h5-7,9-12H,4,8H2,1-3H3,(H,24,26)
InChIKeyZTFOJEQSPZEXOQ-UHFFFAOYSA-N
MW382.39 g/mol
LogP3.71
Rot. Bonds7

About 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (PubChem CID 174811478) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
PubChem CID174811478
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC Name6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCCCN(C)c1cc(C(=O)NC(C)c2cccc(OC(F)(F)F)c2)ncn1
InChIInChI=1S/C18H21F3N4O2/c1-4-8-25(3)16-10-15(22-11-23-16)17(26)24-12(2)13-6-5-7-14(9-13)27-18(19,20)21/h5-7,9-12H,4,8H2,1-3H3,(H,24,26)
InChIKeyZTFOJEQSPZEXOQ-UHFFFAOYSA-N
XLogP3.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

butan-2-amine;N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 171931063
6-(N-methylanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347681
6-(diethylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347663
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162025687
methyl 5-[1-[3-(trifluoromethoxy)phenyl]ethylcarbamoyl]thiophene-2-carboxylate
CID 69052819
(3R)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;(3S)-3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide;3-hydroxy-4,4-dimethyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 157286212
2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162622088
2-[2-[3-(dimethylamino)propylamino]ethyl]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 22337525
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 161315130
(3S)-5,5,5-trifluoro-3-hydroxy-3-methyl-N-[(1S)-1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 139428063
4,4,5,5-tetrafluoro-3-hydroxy-3-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pentanamide
CID 139414552
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225

Frequently Asked Questions

What is the IUPAC name of 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (CID 174811478) is 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is CCCN(C)c1cc(C(=O)NC(C)c2cccc(OC(F)(F)F)c2)ncn1.
What is the InChIKey of 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is ZTFOJEQSPZEXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-4-8-25(3)16-10-15(22-11-23-16)17(26)24-12(2)13-6-5-7-14(9-13)27-18(19,20)21/h5-7,9-12H,4,8H2,1-3H3,(H,24,26).
What are the key properties of 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(propyl)amino]-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 174811478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).