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

C13H20N6O — CID 114784987

IUPAC3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCNc1nc(N2CCCC2CCCO)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-14-13-17-11-10(15-8-16-11)12(18-13)19-6-2-4-9(19)5-3-7-20/h8-9,20H,2-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyNWRHYHLIURNSMT-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.14
Rot. Bonds5

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

3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 114784987) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID114784987
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCNc1nc(N2CCCC2CCCO)c2[nH]cnc2n1
InChIInChI=1S/C13H20N6O/c1-14-13-17-11-10(15-8-16-11)12(18-13)19-6-2-4-9(19)5-3-7-20/h8-9,20H,2-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyNWRHYHLIURNSMT-UHFFFAOYSA-N
XLogP1.14
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-methyl-7H-purin-2-amine
CID 114785462
6-(azocan-1-yl)-N-methyl-7H-purin-2-amine
CID 114783608
6-(2,3-dimethylpiperidin-1-yl)-N-ethyl-7H-purin-2-amine
CID 114784944
3-[1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80826047
[5-methyl-4-[2-(methylamino)-7H-purin-6-yl]morpholin-2-yl]methanol
CID 114785743
N-ethyl-6-(2-methylpiperidin-1-yl)-7H-purin-2-amine
CID 114783570
3-[1-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80801771
3-[1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]propan-1-ol
CID 83063494
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-methyl-7H-purin-2-amine
CID 114785647
3-methyl-1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-3-ol
CID 103358836
3-[1-[2-cyclopropyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80985147
3-[1-[3-(aminomethyl)pyrazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 55104264

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol (CID 114784987) is 3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol is CNc1nc(N2CCCC2CCCO)c2[nH]cnc2n1.
What is the InChIKey of 3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is NWRHYHLIURNSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-14-13-17-11-10(15-8-16-11)12(18-13)19-6-2-4-9(19)5-3-7-20/h8-9,20H,2-7H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 276.34 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(methylamino)-7H-purin-6-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 114784987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).