N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide

C16H17F3N4O — CID 120605495

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N4O/c1-9(2)14-13(7-21-8-22-14)15(24)23-12-4-10(6-20)3-11(5-12)16(17,18)19/h3-5,7-9H,6,20H2,1-2H3,(H,23,24)
InChIKeyVMKODUZSRBCZJU-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.33
Rot. Bonds4

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 120605495) has the molecular formula C16H17F3N4O and a molecular weight of 338.33 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
PubChem CID120605495
Molecular FormulaC16H17F3N4O
Molecular Weight338.33 g/mol
Exact Mass338.14
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncncc1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C16H17F3N4O/c1-9(2)14-13(7-21-8-22-14)15(24)23-12-4-10(6-20)3-11(5-12)16(17,18)19/h3-5,7-9H,6,20H2,1-2H3,(H,23,24)
InChIKeyVMKODUZSRBCZJU-UHFFFAOYSA-N
XLogP3.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 120605381
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-methylpyrazole-4-carboxamide
CID 120605651
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4,6-dimethoxypyrimidine-5-carboxamide
CID 120604881
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butyl-5-ethylpyrazole-4-carboxamide
CID 120605053
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfonylpropanamide
CID 120604625
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylsulfanylpropanamide;hydrochloride
CID 120604922
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-methylpentanamide
CID 120604965
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1-tert-butylpyrazole-4-carboxamide
CID 120604907
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide;hydrochloride
CID 120604998
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-(2-propan-2-yloxyphenyl)acetamide
CID 120605307
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 120605696
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-ethylthiadiazole-5-carboxamide;hydrochloride
CID 120604802

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide (CID 120605495) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncncc1C(=O)Nc1cc(CN)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is VMKODUZSRBCZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O/c1-9(2)14-13(7-21-8-22-14)15(24)23-12-4-10(6-20)3-11(5-12)16(17,18)19/h3-5,7-9H,6,20H2,1-2H3,(H,23,24).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 338.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 120605495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).