(6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C18H26N4O3 — CID 95868601

IUPAC(6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@]2(CCCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C18H26N4O3/c1-3-21-11-18(7-5-15(21)23)6-4-8-22(12-18)16(24)9-14-10-19-13(2)20-17(14)25/h10H,3-9,11-12H2,1-2H3,(H,19,20,25)/t18-/m0/s1
InChIKeyJNNYHSJGEKSIQG-SFHVURJKSA-N
MW346.43 g/mol
LogP0.87
Rot. Bonds3

About (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 95868601) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID95868601
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name(6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@]2(CCCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C18H26N4O3/c1-3-21-11-18(7-5-15(21)23)6-4-8-22(12-18)16(24)9-14-10-19-13(2)20-17(14)25/h10H,3-9,11-12H2,1-2H3,(H,19,20,25)/t18-/m0/s1
InChIKeyJNNYHSJGEKSIQG-SFHVURJKSA-N
XLogP0.87
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Hydroxyethyl)-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72841912
2-Cyclopropyl-9-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72926419
1-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-5-methyl-5-(4-methylpent-3-EN-1-YL)piperidin-2-one
CID 136231863
(4aS*,8aR*)-6-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1-propyloctahydro-1,6-naphthyridin-2(1H)-one
CID 56906413
(6S)-2-cyclopentyl-8-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96375489
N-cyclopropyl-1'-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-1,4'-bipiperidine-3-carboxamide
CID 56869953
2-Ethyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731386
8-[(2-Cyclopropyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
CID 70736617
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-methyl-4(3H)-pyrimidinone hydrochloride
CID 56871392
2-methyl-5-{2-oxo-2-[4-(1-piperidinylcarbonyl)-1-piperidinyl]ethyl}-4(3H)-pyrimidinone
CID 56906487
2-Cyclopentyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70724597
2-Cyclopropyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70727533

Frequently Asked Questions

What is the IUPAC name of (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 95868601) is (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is CCN1C[C@]2(CCCN(C(=O)Cc3cnc(C)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is JNNYHSJGEKSIQG-SFHVURJKSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-3-21-11-18(7-5-15(21)23)6-4-8-22(12-18)16(24)9-14-10-19-13(2)20-17(14)25/h10H,3-9,11-12H2,1-2H3,(H,19,20,25)/t18-/m0/s1.
What are the key properties of (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 346.43 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 95868601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).