1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone

C18H17N5O6 — CID 11488474

IUPAC1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone
SMILESCN1C(=O)N(C)C(=O)C2(Oc3c(c(=O)n(C)c(=O)n3C)C2c2cccnc2)C1=O
InChIInChI=1S/C18H17N5O6/c1-20-12(24)10-11(9-6-5-7-19-8-9)18(29-13(10)21(2)16(20)27)14(25)22(3)17(28)23(4)15(18)26/h5-8,11H,1-4H3
InChIKeyGRIBSPILBGKQNM-UHFFFAOYSA-N
MW399.36 g/mol
LogP-1.21
Rot. Bonds1

About 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone

1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone (PubChem CID 11488474) has the molecular formula C18H17N5O6 and a molecular weight of 399.36 g/mol. Its IUPAC name is 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone.

Molecular Properties

Compound Name1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone
PubChem CID11488474
Molecular FormulaC18H17N5O6
Molecular Weight399.36 g/mol
Exact Mass399.12
IUPAC Name1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone
SMILESCN1C(=O)N(C)C(=O)C2(Oc3c(c(=O)n(C)c(=O)n3C)C2c2cccnc2)C1=O
InChIInChI=1S/C18H17N5O6/c1-20-12(24)10-11(9-6-5-7-19-8-9)18(29-13(10)21(2)16(20)27)14(25)22(3)17(28)23(4)15(18)26/h5-8,11H,1-4H3
InChIKeyGRIBSPILBGKQNM-UHFFFAOYSA-N
XLogP-1.21
TPSA123.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5'S)-1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone
CID 125121936
1,1',3,3'-tetramethyl-5'-(2-nitrophenyl)spiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone
CID 102101458
1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone
CID 102262087
5'-(4-methoxyphenyl)-1,1',3,3'-tetramethylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone
CID 102262091
1,1',3,3'-tetramethyl-5'-(4-nitrophenyl)spiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone
CID 102262096
(2R,5R)-5-ethyl-3-methyl-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 15731935
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
5-(1,3-dimethyl-2,4-dioxo-5H-chromeno[2,3-d]pyrimidin-5-yl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 3132928
5-[(1'S,3'R)-1,3-dimethyl-2,4,6-trioxo-3'-pyridin-2-ylspiro[1,3-diazinane-5,2'-1,3-dihydroindolizin-4-ium]-1'-yl]-1,3-dimethyl-2,6-dioxopyrimidin-4-olate
CID 23246595
5-[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-pyridin-3-ylmethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 11143862
(2R,5S)-3-methyl-5-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 131845439
1,3,7-trimethyl-8-[(1-methyl-2-pyridin-3-ylpyrrolidin-1-ium-1-yl)methyl]purine-2,6-dione
CID 153454337

Frequently Asked Questions

What is the IUPAC name of 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone?
The IUPAC name of 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone (CID 11488474) is 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone.
What is the SMILES notation for 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone?
The canonical SMILES for 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone is CN1C(=O)N(C)C(=O)C2(Oc3c(c(=O)n(C)c(=O)n3C)C2c2cccnc2)C1=O.
What is the InChIKey of 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone?
The InChIKey is GRIBSPILBGKQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O6/c1-20-12(24)10-11(9-6-5-7-19-8-9)18(29-13(10)21(2)16(20)27)14(25)22(3)17(28)23(4)15(18)26/h5-8,11H,1-4H3.
What are the key properties of 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone?
1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone has a molecular weight of 399.36 g/mol, XLogP of -1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1',3,3'-tetramethyl-5'-pyridin-3-ylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2,2',4,4',6-pentone is sourced from PubChem (CID 11488474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).