7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine

C20H20N8O2 — CID 154582914

IUPAC7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
SMILESCOc1cnc(OC2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)nc1
InChIInChI=1S/C20H20N8O2/c1-29-16-11-21-20(22-12-16)30-15-7-9-27(10-8-15)18-17-19(24-13-23-18)28(26-25-17)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3
InChIKeyYVGZWPZRRIREMH-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.06
Rot. Bonds5

About 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine

7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine (PubChem CID 154582914) has the molecular formula C20H20N8O2 and a molecular weight of 404.43 g/mol. Its IUPAC name is 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
PubChem CID154582914
Molecular FormulaC20H20N8O2
Molecular Weight404.43 g/mol
Exact Mass404.17
IUPAC Name7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
SMILESCOc1cnc(OC2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)nc1
InChIInChI=1S/C20H20N8O2/c1-29-16-11-21-20(22-12-16)30-15-7-9-27(10-8-15)18-17-19(24-13-23-18)28(26-25-17)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3
InChIKeyYVGZWPZRRIREMH-UHFFFAOYSA-N
XLogP2.06
TPSA103.97 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844862
6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine
CID 163348498
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154581116
7-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 163346665
cyclohexyl-[4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 41244317
7-(4-methylsulfonylpiperazin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
CID 26844856
7-(3,6-dihydro-2H-pyridin-1-yl)-3-phenyltriazolo[4,5-d]pyrimidine
CID 171334834
N,N-dimethyl-4-(3-phenyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-sulfonamide
CID 30680638
(2-methoxyphenyl)-[4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 29270084
2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345881
[4-[3-(3-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 41244926
(2-fluorophenyl)-[4-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 26844824

Frequently Asked Questions

What is the IUPAC name of 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine?
The IUPAC name of 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine (CID 154582914) is 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine.
What is the SMILES notation for 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine?
The canonical SMILES for 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine is COc1cnc(OC2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)nc1.
What is the InChIKey of 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine?
The InChIKey is YVGZWPZRRIREMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O2/c1-29-16-11-21-20(22-12-16)30-15-7-9-27(10-8-15)18-17-19(24-13-23-18)28(26-25-17)14-5-3-2-4-6-14/h2-6,11-13,15H,7-10H2,1H3.
What are the key properties of 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine?
7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine has a molecular weight of 404.43 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine is sourced from PubChem (CID 154582914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).