(6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one

C19H28N4O3 — CID 136738152

IUPAC(6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@@]2(CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C19H28N4O3/c1-4-22-11-19(8-6-16(22)24)7-5-9-23(12-19)17(25)10-15-13(2)20-14(3)21-18(15)26/h4-12H2,1-3H3,(H,20,21,26)/t19-/m1/s1
InChIKeyIVHIHQBMUXBVBO-LJQANCHMSA-N
MW360.46 g/mol
LogP1.18
Rot. Bonds3

About (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one

(6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 136738152) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID136738152
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@@]2(CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)CCC1=O
InChIInChI=1S/C19H28N4O3/c1-4-22-11-19(8-6-16(22)24)7-5-9-23(12-19)17(25)10-15-13(2)20-14(3)21-18(15)26/h4-12H2,1-3H3,(H,20,21,26)/t19-/m1/s1
InChIKeyIVHIHQBMUXBVBO-LJQANCHMSA-N
XLogP1.18
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethyl)-7-[3-(1-methyl-3-piperidinyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136216809
1-[2-(4-Amino-6-hydroxypyrimidin-2-YL)ethyl]-5-methyl-5-(4-methylpent-3-EN-1-YL)piperidin-2-one
CID 136231863
2-methyl-4-[2-[(5S)-5-methyl-5-(4-methylpent-3-enyl)-2-oxopiperidin-1-yl]ethyl]-1H-pyrimidin-6-one
CID 136748628
2-Ethyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70731386
5-[2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undec-9-yl)-2-oxoethyl]-2-ethyl-6-methylpyrimidin-4(3H)-one
CID 136036171
5-[2-(3,9-diazaspiro[5.5]undec-3-yl)-2-oxoethyl]-2-ethyl-6-methyl-4(3H)-pyrimidinone hydrochloride
CID 136147136
5-[2-(2,7-diazaspiro[4.5]dec-7-yl)-2-oxoethyl]-2,6-dimethylpyrimidin-4(3H)-one
CID 136147210
7-(Cyclopropylmethyl)-2-[(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 136266208
2-Cyclopentyl-8-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70783120
(6R)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95868600
(6S)-2-ethyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 95868601
(6S)-2-cyclopentyl-8-[2-(2-methyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96407611

Frequently Asked Questions

What is the IUPAC name of (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one (CID 136738152) is (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one is CCN1C[C@@]2(CCCN(C(=O)Cc3c(C)nc(C)[nH]c3=O)C2)CCC1=O.
What is the InChIKey of (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is IVHIHQBMUXBVBO-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-4-22-11-19(8-6-16(22)24)7-5-9-23(12-19)17(25)10-15-13(2)20-14(3)21-18(15)26/h4-12H2,1-3H3,(H,20,21,26)/t19-/m1/s1.
What are the key properties of (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one?
(6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 360.46 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]-2-ethyl-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 136738152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).