(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

C19H30N4O — CID 95880852

IUPAC(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@@]2(CCCN(c3cc(C(C)C)nc(C)n3)C2)CCC1=O
InChIInChI=1S/C19H30N4O/c1-5-22-12-19(9-7-18(22)24)8-6-10-23(13-19)17-11-16(14(2)3)20-15(4)21-17/h11,14H,5-10,12-13H2,1-4H3/t19-/m1/s1
InChIKeyOBDWOHHUGXPPMG-LJQANCHMSA-N
MW330.48 g/mol
LogP3.14
Rot. Bonds3

About (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95880852) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95880852
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@@]2(CCCN(c3cc(C(C)C)nc(C)n3)C2)CCC1=O
InChIInChI=1S/C19H30N4O/c1-5-22-12-19(9-7-18(22)24)8-6-10-23(13-19)17-11-16(14(2)3)20-15(4)21-17/h11,14H,5-10,12-13H2,1-4H3/t19-/m1/s1
InChIKeyOBDWOHHUGXPPMG-LJQANCHMSA-N
XLogP3.14
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2-[[(2R)-oxolan-2-yl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97116379
2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715511
(6R)-2-ethyl-8-(7-fluoro-4-methylquinolin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95874599
(6R)-8-(6-ethyl-2-methylpyrimidin-4-yl)-2-[2-(1H-imidazol-5-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97121302
2-(3-methoxypropyl)-8-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70729461
2-ethyl-8-[3-(hydroxymethyl)quinolin-2-yl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70750032
2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70785136
(6S)-8-(2-methylpyrimidin-4-yl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95862608
2-[2-(dimethylamino)ethyl]-8-(2,6-dimethyl-4-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70715455
(6R)-2-ethyl-8-(7H-purin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95868521
2-ethyl-8-(7H-purin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70731111
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866660

Frequently Asked Questions

What is the IUPAC name of (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 95880852) is (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is CCN1C[C@@]2(CCCN(c3cc(C(C)C)nc(C)n3)C2)CCC1=O.
What is the InChIKey of (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is OBDWOHHUGXPPMG-LJQANCHMSA-N. The full InChI is InChI=1S/C19H30N4O/c1-5-22-12-19(9-7-18(22)24)8-6-10-23(13-19)17-11-16(14(2)3)20-15(4)21-17/h11,14H,5-10,12-13H2,1-4H3/t19-/m1/s1.
What are the key properties of (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 330.48 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-ethyl-8-(2-methyl-6-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95880852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).