(5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H22N4O3 — CID 9451307

IUPAC(5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccn2c(=O)cc(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)nc2c1
InChIInChI=1S/C19H22N4O3/c1-12-6-8-22-15(9-12)20-14(10-16(22)24)11-23-17(25)19(21-18(23)26)7-4-3-5-13(19)2/h6,8-10,13H,3-5,7,11H2,1-2H3,(H,21,26)/t13-,19-/m0/s1
InChIKeyZDJVRRVRSJPWDS-DJJJIMSYSA-N
MW354.41 g/mol
LogP2.00
Rot. Bonds2

About (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

(5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 9451307) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name(5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID9451307
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1ccn2c(=O)cc(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)nc2c1
InChIInChI=1S/C19H22N4O3/c1-12-6-8-22-15(9-12)20-14(10-16(22)24)11-23-17(25)19(21-18(23)26)7-4-3-5-13(19)2/h6,8-10,13H,3-5,7,11H2,1-2H3,(H,21,26)/t13-,19-/m0/s1
InChIKeyZDJVRRVRSJPWDS-DJJJIMSYSA-N
XLogP2.00
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione with MolForge

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Related Compounds

N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)cyclohexanecarboxamide
CID 16799362
2-cyclohexyl-N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}acetamide
CID 44009998
5,5-Diethyl-3-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]imidazolidine-2,4-dione
CID 2366895
3-Cyclohexyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}propanamide
CID 7217026
8-Methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 16349108
2-cyclopentyl-N-(2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 16799376
3-cyclohexyl-N-{2,7-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}propanamide
CID 16835762
2-cyclohexyl-N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}acetamide
CID 44009906
2-Cyclohexyl-N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-A]pyrimidin-3-YL}acetamide
CID 44009940
3-cyclohexyl-N-{2,8-dimethyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}propanamide
CID 44009948
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7548897
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7548898

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 9451307) is (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1ccn2c(=O)cc(CN3C(=O)N[C@]4(CCCC[C@@H]4C)C3=O)nc2c1.
What is the InChIKey of (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is ZDJVRRVRSJPWDS-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-6-8-22-15(9-12)20-14(10-16(22)24)11-23-17(25)19(21-18(23)26)7-4-3-5-13(19)2/h6,8-10,13H,3-5,7,11H2,1-2H3,(H,21,26)/t13-,19-/m0/s1.
What are the key properties of (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
(5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 354.41 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methyl-3-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 9451307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).