5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one

C17H21N7O — CID 126941163

IUPAC5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(c3ncnc4nc[nH]c34)CC2)c(=O)c1C
InChIInChI=1S/C17H21N7O/c1-11-12(2)22-10-24(17(11)25)7-13-3-5-23(6-4-13)16-14-15(19-8-18-14)20-9-21-16/h8-10,13H,3-7H2,1-2H3,(H,18,19,20,21)
InChIKeyHYOZJKUHIZENNV-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.44
Rot. Bonds3

About 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one

5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941163) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941163
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1ncn(CC2CCN(c3ncnc4nc[nH]c34)CC2)c(=O)c1C
InChIInChI=1S/C17H21N7O/c1-11-12(2)22-10-24(17(11)25)7-13-3-5-23(6-4-13)16-14-15(19-8-18-14)20-9-21-16/h8-10,13H,3-7H2,1-2H3,(H,18,19,20,21)
InChIKeyHYOZJKUHIZENNV-UHFFFAOYSA-N
XLogP1.44
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864788
6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyridazin-3-one
CID 155799568
6-[4-(2-methoxyethyl)piperidin-1-yl]-7H-purine
CID 166246145
N-methyl-N-[[1-(7H-purin-6-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 146128239
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanamine
CID 62061504
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941190
5,6-dimethyl-3-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941167
5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941297
6-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]-7H-purine
CID 67232922
3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941461
3-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941429

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941163) is 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one is Cc1ncn(CC2CCN(c3ncnc4nc[nH]c34)CC2)c(=O)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is HYOZJKUHIZENNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-11-12(2)22-10-24(17(11)25)7-13-3-5-23(6-4-13)16-14-15(19-8-18-14)20-9-21-16/h8-10,13H,3-7H2,1-2H3,(H,18,19,20,21).
What are the key properties of 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one?
5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 339.40 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-[[1-(7H-purin-6-yl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).