3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol

C11H16N6O — CID 103358836

IUPAC3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
SMILESCNc1nc(N2CCC(C)(O)C2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c1-11(18)3-4-17(5-11)9-7-8(14-6-13-7)15-10(12-2)16-9/h6,18H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyVIXNXOBUICBCLK-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.36
Rot. Bonds2

About 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol

3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol (PubChem CID 103358836) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
PubChem CID103358836
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
SMILESCNc1nc(N2CCC(C)(O)C2)c2[nH]cnc2n1
InChIInChI=1S/C11H16N6O/c1-11(18)3-4-17(5-11)9-7-8(14-6-13-7)15-10(12-2)16-9/h6,18H,3-5H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyVIXNXOBUICBCLK-UHFFFAOYSA-N
XLogP0.36
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methyl-7H-purin-2-amine
CID 114783973
6-(3,3-dimethylpyrrolidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114785656
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-7H-purin-2-amine
CID 114783590
2-[2-(methylamino)-7H-purin-6-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 114786070
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine
CID 114785647
[6-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
CID 102939050
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
CID 114785462
N-tert-butyl-6-[3-(methoxymethyl)-3-methylazetidin-1-yl]-7H-purin-2-amine
CID 123415453
3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
CID 114784987
3-methyl-1-[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]pyrrolidin-3-ol
CID 103358954

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol (CID 103358836) is 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol is CNc1nc(N2CCC(C)(O)C2)c2[nH]cnc2n1.
What is the InChIKey of 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol?
The InChIKey is VIXNXOBUICBCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-11(18)3-4-17(5-11)9-7-8(14-6-13-7)15-10(12-2)16-9/h6,18H,3-5H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol?
3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol has a molecular weight of 248.29 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol is sourced from PubChem (CID 103358836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).