1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one

C20H26N4O2 — CID 158527003

IUPAC1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
SMILESCc1cc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nc(C)n1
InChIInChI=1S/C20H26N4O2/c1-12-8-17(23-13(2)22-12)24-6-4-14(5-7-24)19-18-15(11-21-19)9-16(25)10-20(18,3)26/h8,14,26H,4-7,9-11H2,1-3H3
InChIKeyHMXDAWKZDJQRRW-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.17
Rot. Bonds2

About 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one

1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one (PubChem CID 158527003) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one.

Molecular Properties

Compound Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
PubChem CID158527003
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
SMILESCc1cc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nc(C)n1
InChIInChI=1S/C20H26N4O2/c1-12-8-17(23-13(2)22-12)24-6-4-14(5-7-24)19-18-15(11-21-19)9-16(25)10-20(18,3)26/h8,14,26H,4-7,9-11H2,1-3H3
InChIKeyHMXDAWKZDJQRRW-UHFFFAOYSA-N
XLogP2.17
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one with MolForge

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Related Compounds

1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one
CID 158317965
7-hydroxy-1-[1-(6-methoxypyridazin-3-yl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one
CID 149382006
7-hydroxy-1-[1-(3-isocyanophenyl)piperidin-4-yl]-7-methyl-4,6-dihydro-3H-isoindol-5-one
CID 158103761
7-hydroxy-7-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one;7-hydroxy-7-methyl-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-4,6-dihydro-3H-isoindol-5-one
CID 157159946
(6S,7R)-6-hydroxy-1-[1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-7-(trifluoromethyl)-3,4,6,7-tetrahydroisoindol-5-one
CID 160831562
4-[4-(methoxymethyl)piperidin-1-yl]-2,6-dimethylpyrimidine
CID 66801525
(3R)-1-(2,6-dimethylpyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044915
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N,3-dimethylimidazole-4-carboxamide
CID 126816387
1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 103868258
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2,2-difluoro-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 154756267
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-N-methylmethanamine
CID 62593348
2,4-dimethyl-6-(4-piperidin-1-ylsulfonylpiperidin-1-yl)pyrimidine
CID 138020046

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one?
The IUPAC name of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one (CID 158527003) is 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one.
What is the SMILES notation for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one?
The canonical SMILES for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one is Cc1cc(N2CCC(C3=NCC4=C3C(C)(O)CC(=O)C4)CC2)nc(C)n1.
What is the InChIKey of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one?
The InChIKey is HMXDAWKZDJQRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-12-8-17(23-13(2)22-12)24-6-4-14(5-7-24)19-18-15(11-21-19)9-16(25)10-20(18,3)26/h8,14,26H,4-7,9-11H2,1-3H3.
What are the key properties of 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one?
1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one has a molecular weight of 354.45 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-7-hydroxy-7-methyl-4,6-dihydro-3H-isoindol-5-one is sourced from PubChem (CID 158527003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).