6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine

C15H17N7O2 — CID 163348498

IUPAC6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine
SMILESCOc1cnc(OC2CCN(c3ncnc4c3ncn4C)C2)nc1
InChIInChI=1S/C15H17N7O2/c1-21-9-20-12-13(21)18-8-19-14(12)22-4-3-10(7-22)24-15-16-5-11(23-2)6-17-15/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyLKBPKKXUHZSFJU-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.82
Rot. Bonds4

About 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine

6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine (PubChem CID 163348498) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine.

Molecular Properties

Compound Name6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine
PubChem CID163348498
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine
SMILESCOc1cnc(OC2CCN(c3ncnc4c3ncn4C)C2)nc1
InChIInChI=1S/C15H17N7O2/c1-21-9-20-12-13(21)18-8-19-14(12)22-4-3-10(7-22)24-15-16-5-11(23-2)6-17-15/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyLKBPKKXUHZSFJU-UHFFFAOYSA-N
XLogP0.82
TPSA91.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345881
7-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-3-phenyltriazolo[4,5-d]pyrimidine
CID 154582914
3-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 163345938
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
2-[1-(5-fluoropyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701024
2-[1-(6-cyclopropylpyrimidin-4-yl)piperidin-3-yl]oxy-5-methoxypyrimidine
CID 171701723
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 154581116
2-[1-(3-chloro-4-pyridinyl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163345883
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
5-methoxy-2-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]oxypyrimidine
CID 163348273
6-fluoro-4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]quinazoline
CID 171702618
N-methyl-N-[1-(9-methylpurin-6-yl)pyrrolidin-3-yl]acetamide
CID 155974091

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine?
The IUPAC name of 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine (CID 163348498) is 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine.
What is the SMILES notation for 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine?
The canonical SMILES for 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine is COc1cnc(OC2CCN(c3ncnc4c3ncn4C)C2)nc1.
What is the InChIKey of 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine?
The InChIKey is LKBPKKXUHZSFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-21-9-20-12-13(21)18-8-19-14(12)22-4-3-10(7-22)24-15-16-5-11(23-2)6-17-15/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine?
6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine has a molecular weight of 327.35 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(5-methoxypyrimidin-2-yl)oxypyrrolidin-1-yl]-9-methylpurine is sourced from PubChem (CID 163348498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).