2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C32H34F6N8O3 — CID 159636537

IUPAC2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1.CCN(CC)c1nc(C(N)=O)cc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H17F3N4O2.C16H17F3N4O/c1-3-23(4-2)15-21-12(9-13(22-15)14(20)24)10-5-7-11(8-6-10)25-16(17,18)19;1-3-23(4-2)15-21-12(9-13(22-15)14(20)24)10-5-7-11(8-6-10)16(17,18)19/h5-9H,3-4H2,1-2H3,(H2,20,24);5-9H,3-4H2,1-2H3,(H2,20,24)
InChIKeyMPUXQJLOQAXQFP-UHFFFAOYSA-N
MW692.67 g/mol
LogP6.09
Rot. Bonds11

About 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 159636537) has the molecular formula C32H34F6N8O3 and a molecular weight of 692.67 g/mol. Its IUPAC name is 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID159636537
Molecular FormulaC32H34F6N8O3
Molecular Weight692.67 g/mol
Exact Mass692.27
IUPAC Name2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1.CCN(CC)c1nc(C(N)=O)cc(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C16H17F3N4O2.C16H17F3N4O/c1-3-23(4-2)15-21-12(9-13(22-15)14(20)24)10-5-7-11(8-6-10)25-16(17,18)19;1-3-23(4-2)15-21-12(9-13(22-15)14(20)24)10-5-7-11(8-6-10)16(17,18)19/h5-9H,3-4H2,1-2H3,(H2,20,24);5-9H,3-4H2,1-2H3,(H2,20,24)
InChIKeyMPUXQJLOQAXQFP-UHFFFAOYSA-N
XLogP6.09
TPSA153.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.67
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide
CID 58872642
2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 58872668
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
ethyl 2-methyl-6-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine-3-carboxylate
CID 76852879
2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide
CID 15604467
6-propoxy-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]pyrimidine-4-carboxamide
CID 90399213
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
ethyl 4-(trifluoromethoxy)-2-[4-(trifluoromethyl)phenyl]benzoate
CID 134628857
2-[bis(3-methylbutyl)amino]-6-phenylpyrimidine-4-carboxamide
CID 15603891
methyl 2,6-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134634052
ethyl 3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzoate
CID 134633183
4-iodo-2-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine
CID 118799175

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 159636537) is 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is CCN(CC)c1nc(C(N)=O)cc(-c2ccc(C(F)(F)F)cc2)n1.CCN(CC)c1nc(C(N)=O)cc(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is MPUXQJLOQAXQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2.C16H17F3N4O/c1-3-23(4-2)15-21-12(9-13(22-15)14(20)24)10-5-7-11(8-6-10)25-16(17,18)19;1-3-23(4-2)15-21-12(9-13(22-15)14(20)24)10-5-7-11(8-6-10)16(17,18)19/h5-9H,3-4H2,1-2H3,(H2,20,24);5-9H,3-4H2,1-2H3,(H2,20,24).
What are the key properties of 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 692.67 g/mol, XLogP of 6.09, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-[4-(trifluoromethoxy)phenyl]pyrimidine-4-carboxamide;2-(diethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 159636537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).