4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide

C18H13F3N4O2 — CID 11360822

IUPAC4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
SMILESNC(=O)c1nc(N)cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-15(22)25-17(24-13)16(23)26/h1-9H,(H2,23,26)(H2,22,24,25)
InChIKeyZTLNSZASFAXSTJ-UHFFFAOYSA-N
MW374.32 g/mol
LogP3.39
Rot. Bonds4

About 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide

4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide (PubChem CID 11360822) has the molecular formula C18H13F3N4O2 and a molecular weight of 374.32 g/mol. Its IUPAC name is 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
PubChem CID11360822
Molecular FormulaC18H13F3N4O2
Molecular Weight374.32 g/mol
Exact Mass374.10
IUPAC Name4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
SMILESNC(=O)c1nc(N)cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1
InChIInChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-15(22)25-17(24-13)16(23)26/h1-9H,(H2,23,26)(H2,22,24,25)
InChIKeyZTLNSZASFAXSTJ-UHFFFAOYSA-N
XLogP3.39
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.32
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-oxazole-2-carboxamide
CID 11371458
5-methyl-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11291743
N-(2-amino-2-oxoethyl)-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11258549
N-[(2R)-1-amino-1-oxopropan-2-yl]-4-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide
CID 11270358
methyl 6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine-2-carboxylate
CID 11394687
4-[6-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]pyrimidine-2-carboxamide
CID 58774782
1-methyl-5-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrazole-3-carboxamide
CID 11302890
[2-oxo-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 58832520
5-methyl-2-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyridine
CID 11209672
[3-[2-(trifluoromethoxy)phenyl]phenyl]hydrazine
CID 154827771
1-propan-2-yl-3-[4-[3-[2-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-yl]urea
CID 11316139
1-fluoro-3-[2-(trifluoromethoxy)phenyl]benzene
CID 46313769

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide (CID 11360822) is 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide is NC(=O)c1nc(N)cc(-c2cccc(-c3ccccc3OC(F)(F)F)c2)n1.
What is the InChIKey of 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
The InChIKey is ZTLNSZASFAXSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2/c19-18(20,21)27-14-7-2-1-6-12(14)10-4-3-5-11(8-10)13-9-15(22)25-17(24-13)16(23)26/h1-9H,(H2,23,26)(H2,22,24,25).
What are the key properties of 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide?
4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide has a molecular weight of 374.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[3-[2-(trifluoromethoxy)phenyl]phenyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 11360822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).