(5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C21H26N4O2 — CID 97109976

IUPAC(5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CC[C@]3(CCCN(CCO)C3=O)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H26N4O2/c1-16-14-18(23-19(22-16)17-6-3-2-4-7-17)25-11-9-21(15-25)8-5-10-24(12-13-26)20(21)27/h2-4,6-7,14,26H,5,8-13,15H2,1H3/t21-/m1/s1
InChIKeyGIWAOIGIVGQOEN-OAQYLSRUSA-N
MW366.47 g/mol
LogP2.26
Rot. Bonds4

About (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97109976) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97109976
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCc1cc(N2CC[C@]3(CCCN(CCO)C3=O)C2)nc(-c2ccccc2)n1
InChIInChI=1S/C21H26N4O2/c1-16-14-18(23-19(22-16)17-6-3-2-4-7-17)25-11-9-21(15-25)8-5-10-24(12-13-26)20(21)27/h2-4,6-7,14,26H,5,8-13,15H2,1H3/t21-/m1/s1
InChIKeyGIWAOIGIVGQOEN-OAQYLSRUSA-N
XLogP2.26
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72845384
7-(2-hydroxyethyl)-2-(2-methylsulfanylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72930580
2-(7-fluoro-4-methylquinolin-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72915393
7-(cyclobutylmethyl)-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 70731887
(5R)-7-(3-methoxypropyl)-2-(2-methylquinolin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195471
6-[(5R)-6-oxo-7-propyl-2,7-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 97145855
(5R)-2-[1-(2-hydroxyethyl)benzimidazol-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97193495
2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72847245
(5S)-7-[(3-methylphenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 95860788
7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 119060331
3-methyl-1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052385
(5R)-2-(8-methoxy-4-methylquinolin-2-yl)-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97200151

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97109976) is (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is Cc1cc(N2CC[C@]3(CCCN(CCO)C3=O)C2)nc(-c2ccccc2)n1.
What is the InChIKey of (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is GIWAOIGIVGQOEN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-16-14-18(23-19(22-16)17-6-3-2-4-7-17)25-11-9-21(15-25)8-5-10-24(12-13-26)20(21)27/h2-4,6-7,14,26H,5,8-13,15H2,1H3/t21-/m1/s1.
What are the key properties of (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 366.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-hydroxyethyl)-2-(6-methyl-2-phenylpyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97109976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).