(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

C15H23N5O2 — CID 96577748

IUPAC(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESNc1ccnc(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)n1
InChIInChI=1S/C15H23N5O2/c16-12-3-6-17-14(18-12)20-7-1-4-15(11-20)5-2-13(22)19(10-15)8-9-21/h3,6,21H,1-2,4-5,7-11H2,(H2,16,17,18)/t15-/m0/s1
InChIKeyICIIIJXFGFSQFM-HNNXBMFYSA-N
MW305.38 g/mol
LogP0.26
Rot. Bonds3

About (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96577748) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96577748
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESNc1ccnc(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)n1
InChIInChI=1S/C15H23N5O2/c16-12-3-6-17-14(18-12)20-7-1-4-15(11-20)5-2-13(22)19(10-15)8-9-21/h3,6,21H,1-2,4-5,7-11H2,(H2,16,17,18)/t15-/m0/s1
InChIKeyICIIIJXFGFSQFM-HNNXBMFYSA-N
XLogP0.26
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6R)-2-(3-hydroxypropyl)-8-[4-(trifluoromethyl)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97133670
2-(2-hydroxyethyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70771931
8-(2-amino-7H-purin-6-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70760732
(6S)-2-(2-hydroxyethyl)-8-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96574681
(6R)-2-(3-methoxypropyl)-8-pyrimidin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 95867371
(6S)-2-(3-hydroxypropyl)-8-pyrazin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 96579570
(6S)-8-(6-fluoro-4-methylquinolin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96576819
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
(6R)-2-(3-hydroxypropyl)-8-[4-methyl-6-(methylamino)pyrimidin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96579032
2-(2-hydroxyethyl)-8-(3-pyridin-4-ylpropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72874354
2-[(3S)-3-fluoro-3-methylpiperidin-1-yl]pyrimidin-4-amine
CID 156550418
2-[2-(dimethylamino)ethyl]-8-(2-methyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70782576

Frequently Asked Questions

What is the IUPAC name of (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 96577748) is (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is Nc1ccnc(N2CCC[C@@]3(CCC(=O)N(CCO)C3)C2)n1.
What is the InChIKey of (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ICIIIJXFGFSQFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-12-3-6-17-14(18-12)20-7-1-4-15(11-20)5-2-13(22)19(10-15)8-9-21/h3,6,21H,1-2,4-5,7-11H2,(H2,16,17,18)/t15-/m0/s1.
What are the key properties of (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 305.38 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-(4-aminopyrimidin-2-yl)-2-(2-hydroxyethyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96577748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).