8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C16H23N7O2 — CID 70760732

IUPAC8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESNc1nc(N2CCCC3(CCC(=O)N(CCO)C3)C2)c2[nH]cnc2n1
InChIInChI=1S/C16H23N7O2/c17-15-20-13-12(18-10-19-13)14(21-15)23-5-1-3-16(9-23)4-2-11(25)22(8-16)6-7-24/h10,24H,1-9H2,(H3,17,18,19,20,21)
InChIKeyNSRDIZJWSXUKIJ-UHFFFAOYSA-N
MW345.41 g/mol
LogP0.14
Rot. Bonds3

About 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70760732) has the molecular formula C16H23N7O2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70760732
Molecular FormulaC16H23N7O2
Molecular Weight345.41 g/mol
Exact Mass345.19
IUPAC Name8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESNc1nc(N2CCCC3(CCC(=O)N(CCO)C3)C2)c2[nH]cnc2n1
InChIInChI=1S/C16H23N7O2/c17-15-20-13-12(18-10-19-13)14(21-15)23-5-1-3-16(9-23)4-2-11(25)22(8-16)6-7-24/h10,24H,1-9H2,(H3,17,18,19,20,21)
InChIKeyNSRDIZJWSXUKIJ-UHFFFAOYSA-N
XLogP0.14
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

2-[2-(1H-imidazol-5-yl)ethyl]-8-(7H-purin-6-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72852506
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96577748
6-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]-7H-purin-2-amine
CID 97274714
6-(8-azaspiro[4.5]decan-8-yl)-7H-purin-2-amine
CID 104623737
2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70771931
1-(2-amino-7H-purin-6-yl)-3-methylpyrrolidin-3-ol
CID 104623816
(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96574681
4-(2-amino-7H-purin-6-yl)piperazine-2,6-dione
CID 114785546
2-ethyl-8-(7H-purin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70731111
(6R)-2-ethyl-8-(7H-purin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95868521
(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576819
(6S)-8-(5-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97115766

Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70760732) is 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is Nc1nc(N2CCCC3(CCC(=O)N(CCO)C3)C2)c2[nH]cnc2n1.
What is the InChIKey of 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is NSRDIZJWSXUKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O2/c17-15-20-13-12(18-10-19-13)14(21-15)23-5-1-3-16(9-23)4-2-11(25)22(8-16)6-7-24/h10,24H,1-9H2,(H3,17,18,19,20,21).
What are the key properties of 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 345.41 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70760732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).