9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine

C20H20N8 — CID 175902287

IUPAC9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine
SMILESCn1c(-c2ccncc2)nc2cnc(-c3ccnc(C4CCCNC4)n3)nc21
InChIInChI=1S/C20H20N8/c1-28-19(13-4-8-21-9-5-13)26-16-12-24-18(27-20(16)28)15-6-10-23-17(25-15)14-3-2-7-22-11-14/h4-6,8-10,12,14,22H,2-3,7,11H2,1H3
InChIKeyUHWRQSHGVKHWIZ-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.35
Rot. Bonds3

About 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine

9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine (PubChem CID 175902287) has the molecular formula C20H20N8 and a molecular weight of 372.44 g/mol. Its IUPAC name is 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine.

Molecular Properties

Compound Name9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine
PubChem CID175902287
Molecular FormulaC20H20N8
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine
SMILESCn1c(-c2ccncc2)nc2cnc(-c3ccnc(C4CCCNC4)n3)nc21
InChIInChI=1S/C20H20N8/c1-28-19(13-4-8-21-9-5-13)26-16-12-24-18(27-20(16)28)15-6-10-23-17(25-15)14-3-2-7-22-11-14/h4-6,8-10,12,14,22H,2-3,7,11H2,1H3
InChIKeyUHWRQSHGVKHWIZ-UHFFFAOYSA-N
XLogP2.35
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-(5-methylfuran-2-yl)-2-piperidin-3-ylpyrimidine
CID 116898890
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
tert-butyl 3-[4-(9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 162379193
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
4-[5-methyl-1-(piperidin-3-ylmethyl)imidazol-2-yl]pyridine
CID 90488017
3-[4-(2-methylpropyl)pyrimidin-2-yl]azepane
CID 84697087
4-(2,5-dimethylphenyl)-2-pyrrolidin-3-ylpyrimidine
CID 116898808
5-piperidin-3-yl-3-pyridin-4-yl-1,2,4-oxadiazole;dihydrochloride
CID 66618635
5-methyl-N-(4-piperidin-3-ylpyrimidin-2-yl)-1,3-thiazol-2-amine
CID 171688131
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine?
The IUPAC name of 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine (CID 175902287) is 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine.
What is the SMILES notation for 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine?
The canonical SMILES for 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine is Cn1c(-c2ccncc2)nc2cnc(-c3ccnc(C4CCCNC4)n3)nc21.
What is the InChIKey of 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine?
The InChIKey is UHWRQSHGVKHWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8/c1-28-19(13-4-8-21-9-5-13)26-16-12-24-18(27-20(16)28)15-6-10-23-17(25-15)14-3-2-7-22-11-14/h4-6,8-10,12,14,22H,2-3,7,11H2,1H3.
What are the key properties of 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine?
9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine has a molecular weight of 372.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-(2-piperidin-3-ylpyrimidin-4-yl)-8-pyridin-4-ylpurine is sourced from PubChem (CID 175902287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).