5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid

C23H35N5O6S — CID 158189450

IUPAC5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CCCS(=O)(=O)c1ccc(Nc2ncnc(OC3CCNCC3)c2OC)c(C)n1
InChIInChI=1S/C19H27N5O4S.C4H8O2/c1-4-11-29(25,26)16-6-5-15(13(2)23-16)24-18-17(27-3)19(22-12-21-18)28-14-7-9-20-10-8-14;1-3(2)4(5)6/h5-6,12,14,20H,4,7-11H2,1-3H3,(H,21,22,24);3H,1-2H3,(H,5,6)
InChIKeyFZOHQINYCMMZOM-UHFFFAOYSA-N
MW509.63 g/mol
LogP2.97
Rot. Bonds9

About 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid

5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid (PubChem CID 158189450) has the molecular formula C23H35N5O6S and a molecular weight of 509.63 g/mol. Its IUPAC name is 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid.

Molecular Properties

Compound Name5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid
PubChem CID158189450
Molecular FormulaC23H35N5O6S
Molecular Weight509.63 g/mol
Exact Mass509.23
IUPAC Name5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.CCCS(=O)(=O)c1ccc(Nc2ncnc(OC3CCNCC3)c2OC)c(C)n1
InChIInChI=1S/C19H27N5O4S.C4H8O2/c1-4-11-29(25,26)16-6-5-15(13(2)23-16)24-18-17(27-3)19(22-12-21-18)28-14-7-9-20-10-8-14;1-3(2)4(5)6/h5-6,12,14,20H,4,7-11H2,1-3H3,(H,21,22,24);3H,1-2H3,(H,5,6)
InChIKeyFZOHQINYCMMZOM-UHFFFAOYSA-N
XLogP2.97
TPSA152.63 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.63
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid with MolForge

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Launch Full Analysis

Related Compounds

propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11547948
N-(6-bromo-2-methyl-3-pyridinyl)-5-methoxy-6-piperidin-4-yloxypyrimidin-4-amine
CID 162178686
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propan-2-ylsulfonyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11613117
4-[6-[(2-methyl-6-methylsulfonyl-3-pyridinyl)amino]-5-propoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 141148279
4-[[6-(2-methoxyethylsulfonyl)-2-methyl-3-pyridinyl]oxy]-5-methyl-6-piperidin-4-yloxypyrimidine
CID 141186091
N-[6-(2-methoxyethoxy)-2-methyl-3-pyridinyl]-5-methyl-6-piperidin-4-yloxypyrimidin-4-amine
CID 141105746
propan-2-yl 4-[5-methoxy-6-[(2-methyl-6-propylsulfanyl-3-pyridinyl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11648576
propan-2-yl 4-[5-methoxy-6-[[6-(2-methoxyethylamino)-2-methyl-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11503815
propan-2-yl 4-[5-methoxy-6-[[2-methoxy-6-(2-methylsulfonylethylamino)-3-pyridinyl]amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11497516
5-N-(5-methoxy-6-piperidin-4-yloxypyrimidin-4-yl)-2-N-(2-methylsulfonylethyl)pyridine-2,5-diamine
CID 69294283
4-[6-[(2,4-dimethyl-6-methylsulfonyl-3-pyridinyl)amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylic acid
CID 142786808
5-methoxy-N-(2-methyl-6-methylsulfonyl-3-pyridinyl)-6-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxypyrimidin-4-amine;propan-2-yl 4-[6-[[6-(hydroxymethyl)-4-methyl-3-pyridinyl]amino]-5-methoxypyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 87898232

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid?
The IUPAC name of 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid (CID 158189450) is 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid.
What is the SMILES notation for 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid?
The canonical SMILES for 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid is CC(C)C(=O)O.CCCS(=O)(=O)c1ccc(Nc2ncnc(OC3CCNCC3)c2OC)c(C)n1.
What is the InChIKey of 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid?
The InChIKey is FZOHQINYCMMZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O4S.C4H8O2/c1-4-11-29(25,26)16-6-5-15(13(2)23-16)24-18-17(27-3)19(22-12-21-18)28-14-7-9-20-10-8-14;1-3(2)4(5)6/h5-6,12,14,20H,4,7-11H2,1-3H3,(H,21,22,24);3H,1-2H3,(H,5,6).
What are the key properties of 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid?
5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid has a molecular weight of 509.63 g/mol, XLogP of 2.97, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(2-methyl-6-propylsulfonyl-3-pyridinyl)-6-piperidin-4-yloxypyrimidin-4-amine;2-methylpropanoic acid is sourced from PubChem (CID 158189450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).