2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide

C24H27F3N6O — CID 153393450

IUPAC2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(N)nc(-c2ccccc2)c1-c1cc(C)nc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N6O/c1-5-33(6-2)19(34)14-32(4)22-20(17-12-15(3)29-18(13-17)24(25,26)27)21(30-23(28)31-22)16-10-8-7-9-11-16/h7-13H,5-6,14H2,1-4H3,(H2,28,30,31)
InChIKeyVPTKBDDONUKLLQ-UHFFFAOYSA-N
MW472.52 g/mol
LogP4.42
Rot. Bonds7

About 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide

2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide (PubChem CID 153393450) has the molecular formula C24H27F3N6O and a molecular weight of 472.52 g/mol. Its IUPAC name is 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
PubChem CID153393450
Molecular FormulaC24H27F3N6O
Molecular Weight472.52 g/mol
Exact Mass472.22
IUPAC Name2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nc(N)nc(-c2ccccc2)c1-c1cc(C)nc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N6O/c1-5-33(6-2)19(34)14-32(4)22-20(17-12-15(3)29-18(13-17)24(25,26)27)21(30-23(28)31-22)16-10-8-7-9-11-16/h7-13H,5-6,14H2,1-4H3,(H2,28,30,31)
InChIKeyVPTKBDDONUKLLQ-UHFFFAOYSA-N
XLogP4.42
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide (CID 153393450) is 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1nc(N)nc(-c2ccccc2)c1-c1cc(C)nc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide?
The InChIKey is VPTKBDDONUKLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N6O/c1-5-33(6-2)19(34)14-32(4)22-20(17-12-15(3)29-18(13-17)24(25,26)27)21(30-23(28)31-22)16-10-8-7-9-11-16/h7-13H,5-6,14H2,1-4H3,(H2,28,30,31).
What are the key properties of 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide?
2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide has a molecular weight of 472.52 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-5-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-6-phenylpyrimidin-4-yl]-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 153393450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).