2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one

C82H119N9O9 — CID 163514871

IUPAC2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C(C)C)c(=O)[nH]c1C.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1cnc(C(C)C)c(O)c1.Cc1cnc(C(C)C)c(O)c1.[2H]c1c(C)nc(O)c(C(C)C)c1[2H].[2H]c1nc(C(C)C)c(O)c([2H])c1C.[2H]c1nc(C)c([2H])c(O)c1C(C)C
InChIInChI=1S/C10H15NO.8C9H13NO/c1-6(2)9-5-7(3)8(4)11-10(9)12;3*1-6(2)8-5-10-7(3)4-9(8)11;3*1-6(2)9-8(11)4-7(3)5-10-9;2*1-6(2)8-5-4-7(3)10-9(8)11/h5-6H,1-4H3,(H,11,12);3*4-6H,1-3H3,(H,10,11);3*4-6,11H,1-3H3;2*4-6H,1-3H3,(H,10,11)/i;4D,5D;;;4D,5D;;;4D,5D;
InChIKeyDFVHJLHBWGJMEE-IBVKTTCASA-N
MW1380.94 g/mol
LogP18.63
Rot. Bonds9

About 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one

2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 163514871) has the molecular formula C82H119N9O9 and a molecular weight of 1380.94 g/mol. Its IUPAC name is 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one
PubChem CID163514871
Molecular FormulaC82H119N9O9
Molecular Weight1380.94 g/mol
Exact Mass1379.95
IUPAC Name2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C(C)C)c(=O)[nH]c1C.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1cnc(C(C)C)c(O)c1.Cc1cnc(C(C)C)c(O)c1.[2H]c1c(C)nc(O)c(C(C)C)c1[2H].[2H]c1nc(C(C)C)c(O)c([2H])c1C.[2H]c1nc(C)c([2H])c(O)c1C(C)C
InChIInChI=1S/C10H15NO.8C9H13NO/c1-6(2)9-5-7(3)8(4)11-10(9)12;3*1-6(2)8-5-10-7(3)4-9(8)11;3*1-6(2)9-8(11)4-7(3)5-10-9;2*1-6(2)8-5-4-7(3)10-9(8)11/h5-6H,1-4H3,(H,11,12);3*4-6H,1-3H3,(H,10,11);3*4-6,11H,1-3H3;2*4-6H,1-3H3,(H,10,11)/i;4D,5D;;;4D,5D;;;4D,5D;
InChIKeyDFVHJLHBWGJMEE-IBVKTTCASA-N
XLogP18.63
TPSA297.04 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001380.94
LogP ≤ 518.63
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one (CID 163514871) is 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one is Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(=O)c(C(C)C)c[nH]1.Cc1cc(C(C)C)c(=O)[nH]c1C.Cc1ccc(C(C)C)c(=O)[nH]1.Cc1cnc(C(C)C)c(O)c1.Cc1cnc(C(C)C)c(O)c1.[2H]c1c(C)nc(O)c(C(C)C)c1[2H].[2H]c1nc(C(C)C)c(O)c([2H])c1C.[2H]c1nc(C)c([2H])c(O)c1C(C)C.
What is the InChIKey of 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is DFVHJLHBWGJMEE-IBVKTTCASA-N. The full InChI is InChI=1S/C10H15NO.8C9H13NO/c1-6(2)9-5-7(3)8(4)11-10(9)12;3*1-6(2)8-5-10-7(3)4-9(8)11;3*1-6(2)9-8(11)4-7(3)5-10-9;2*1-6(2)8-5-4-7(3)10-9(8)11/h5-6H,1-4H3,(H,11,12);3*4-6H,1-3H3,(H,10,11);3*4-6,11H,1-3H3;2*4-6H,1-3H3,(H,10,11)/i;4D,5D;;;4D,5D;;;4D,5D;.
What are the key properties of 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one?
2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one has a molecular weight of 1380.94 g/mol, XLogP of 18.63, 9 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dideuterio-6-methyl-3-propan-2-ylpyridin-4-ol;4,5-dideuterio-6-methyl-3-propan-2-ylpyridin-2-ol;4,6-dideuterio-5-methyl-2-propan-2-ylpyridin-3-ol;5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one;bis(5-methyl-2-propan-2-ylpyridin-3-ol);bis(2-methyl-5-propan-2-yl-1H-pyridin-4-one);6-methyl-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 163514871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).