2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine

C33H38F6N6O2 — CID 160337949

IUPAC2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCOC1=NC=C(C(=N1)N(C)C2=CC=CC(=C2)C(C)C)C(F)(F)F.CC(C)C1=CC(=CC=C1)N(C)C2=NC(=NC=C2C(F)(F)F)OC
InChIInChI=1S/C17H20F3N3O.C16H18F3N3O/c1-5-24-16-21-10-14(17(18,19)20)15(22-16)23(4)13-8-6-7-12(9-13)11(2)3;1-10(2)11-6-5-7-12(8-11)22(3)14-13(16(17,18)19)9-20-15(21-14)23-4/h6-11H,5H2,1-4H3;5-10H,1-4H3
InChIKeyPXOTWJMFQMDVAU-UHFFFAOYSA-N
MW664.70 g/mol
LogP—
Rot. Bonds9

About 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine

2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 160337949) has the molecular formula C33H38F6N6O2 and a molecular weight of 664.70 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
PubChem CID160337949
Molecular FormulaC33H38F6N6O2
Molecular Weight664.70 g/mol
Exact Mass664.30
IUPAC Name2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine
SMILESCCOC1=NC=C(C(=N1)N(C)C2=CC=CC(=C2)C(C)C)C(F)(F)F.CC(C)C1=CC(=CC=C1)N(C)C2=NC(=NC=C2C(F)(F)F)OC
InChIInChI=1S/C17H20F3N3O.C16H18F3N3O/c1-5-24-16-21-10-14(17(18,19)20)15(22-16)23(4)13-8-6-7-12(9-13)11(2)3;1-10(2)11-6-5-7-12(8-11)22(3)14-13(16(17,18)19)9-20-15(21-14)23-4/h6-11H,5H2,1-4H3;5-10H,1-4H3
InChIKeyPXOTWJMFQMDVAU-UHFFFAOYSA-N
XLogP—
TPSA76.50 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms47
Complexity770

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine (CID 160337949) is 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine is CCOC1=NC=C(C(=N1)N(C)C2=CC=CC(=C2)C(C)C)C(F)(F)F.CC(C)C1=CC(=CC=C1)N(C)C2=NC(=NC=C2C(F)(F)F)OC.
What is the InChIKey of 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is PXOTWJMFQMDVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O.C16H18F3N3O/c1-5-24-16-21-10-14(17(18,19)20)15(22-16)23(4)13-8-6-7-12(9-13)11(2)3;1-10(2)11-6-5-7-12(8-11)22(3)14-13(16(17,18)19)9-20-15(21-14)23-4/h6-11H,5H2,1-4H3;5-10H,1-4H3.
What are the key properties of 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine?
2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 664.70 g/mol, XLogP of not available, 9 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine;2-methoxy-N-methyl-N-(3-propan-2-ylphenyl)-5-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 160337949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).