2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

C17H19F3N4O2 — CID 151094917

IUPAC2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCCNc1nccc(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N4O2/c1-3-21-16-22-8-7-14(24-16)15(25)23-11(2)12-5-4-6-13(9-12)26-10-17(18,19)20/h4-9,11H,3,10H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyMMWZNABXCSFVSK-UHFFFAOYSA-N
MW368.36 g/mol
LogP3.34
Rot. Bonds7

About 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide

2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (PubChem CID 151094917) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
PubChem CID151094917
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
SMILESCCNc1nccc(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)n1
InChIInChI=1S/C17H19F3N4O2/c1-3-21-16-22-8-7-14(24-16)15(25)23-11(2)12-5-4-6-13(9-12)26-10-17(18,19)20/h4-9,11H,3,10H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyMMWZNABXCSFVSK-UHFFFAOYSA-N
XLogP3.34
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methyl-2-oxobutyl)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 159341282
2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162622088
6-methyl-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrazine-2-carboxamide
CID 174811246
2-(propanoylamino)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67508804
2-methyl-6-(2-methylpropanoylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 67508998
2-(4-ethoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304931
(3R)-3-hydroxy-4-methyl-N-[(1S)-1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-3-(trifluoromethyl)pentanamide
CID 139414577
2-[2-(dimethylamino)ethylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109301059
5-[1-(3-ethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685225
N-[1-(2-amino-4-pyridinyl)ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyrazine-2-carboxamide
CID 162573502
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
2-(3-bromoanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304953

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide (CID 151094917) is 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is CCNc1nccc(C(=O)NC(C)c2cccc(OCC(F)(F)F)c2)n1.
What is the InChIKey of 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is MMWZNABXCSFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-3-21-16-22-8-7-14(24-16)15(25)23-11(2)12-5-4-6-13(9-12)26-10-17(18,19)20/h4-9,11H,3,10H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide?
2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 151094917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).