6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine

C19H26F3N5O2 — CID 162622233

IUPAC6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine
SMILESCC(C)(C)N.Cc1cc(C(=O)NCc2cnc(OCC(F)(F)F)cc2C)ncn1
InChIInChI=1S/C15H15F3N4O2.C4H11N/c1-9-3-13(24-7-15(16,17)18)19-5-11(9)6-20-14(23)12-4-10(2)21-8-22-12;1-4(2,3)5/h3-5,8H,6-7H2,1-2H3,(H,20,23);5H2,1-3H3
InChIKeyTUSHKROHFITTPN-UHFFFAOYSA-N
MW413.44 g/mol
LogP3.10
Rot. Bonds5

About 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine

6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine (PubChem CID 162622233) has the molecular formula C19H26F3N5O2 and a molecular weight of 413.44 g/mol. Its IUPAC name is 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine.

Molecular Properties

Compound Name6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine
PubChem CID162622233
Molecular FormulaC19H26F3N5O2
Molecular Weight413.44 g/mol
Exact Mass413.20
IUPAC Name6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine
SMILESCC(C)(C)N.Cc1cc(C(=O)NCc2cnc(OCC(F)(F)F)cc2C)ncn1
InChIInChI=1S/C15H15F3N4O2.C4H11N/c1-9-3-13(24-7-15(16,17)18)19-5-11(9)6-20-14(23)12-4-10(2)21-8-22-12;1-4(2,3)5/h3-5,8H,6-7H2,1-2H3,(H,20,23);5H2,1-3H3
InChIKeyTUSHKROHFITTPN-UHFFFAOYSA-N
XLogP3.10
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67511008
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236
4-methyl-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 79176734
tert-butylazanide;N-[[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 159500993
6-methyl-N-propylpyrimidine-4-carboxamide
CID 110847771
2-(5-fluoro-2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]acetamide
CID 171787141
N-[(2,4-difluorophenyl)methyl]-6-methoxypyrimidine-4-carboxamide
CID 91628561
(6-methylpyrimidin-4-yl) N-(2-amino-2-methylpropyl)carbamate
CID 83823204
6-N-[(4-fluoro-3-methylphenyl)methyl]-4-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-4,6-dicarboxamide
CID 59980542
2-methylpropan-2-amine;N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]pyrazine-2-carboxamide
CID 171924976
N-[(6-methylpyrimidin-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122263448
N-[(4,5-dimethyl-1H-pyrazol-3-yl)methyl]-6-methylpyrimidine-4-carboxamide
CID 136558778

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine?
The IUPAC name of 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine (CID 162622233) is 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine.
What is the SMILES notation for 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine?
The canonical SMILES for 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine is CC(C)(C)N.Cc1cc(C(=O)NCc2cnc(OCC(F)(F)F)cc2C)ncn1.
What is the InChIKey of 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine?
The InChIKey is TUSHKROHFITTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2.C4H11N/c1-9-3-13(24-7-15(16,17)18)19-5-11(9)6-20-14(23)12-4-10(2)21-8-22-12;1-4(2,3)5/h3-5,8H,6-7H2,1-2H3,(H,20,23);5H2,1-3H3.
What are the key properties of 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine?
6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine has a molecular weight of 413.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide;2-methylpropan-2-amine is sourced from PubChem (CID 162622233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).