1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone

C19H20N4O5 — CID 102262087

IUPAC1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone
SMILESCN1CN(C)C(=O)C2(Oc3c(c(=O)n(C)c(=O)n3C)C2c2ccccc2)C1=O
InChIInChI=1S/C19H20N4O5/c1-20-10-21(2)17(26)19(16(20)25)13(11-8-6-5-7-9-11)12-14(24)22(3)18(27)23(4)15(12)28-19/h5-9,13H,10H2,1-4H3
InChIKeySWDKDBFQTYJTMH-UHFFFAOYSA-N
MW384.39 g/mol
LogP-0.76
Rot. Bonds1

About 1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone

1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone (PubChem CID 102262087) has the molecular formula C19H20N4O5 and a molecular weight of 384.39 g/mol. Its IUPAC name is 1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone.

Molecular Properties

Compound Name1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone
PubChem CID102262087
Molecular FormulaC19H20N4O5
Molecular Weight384.39 g/mol
Exact Mass384.14
IUPAC Name1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone
SMILESCN1CN(C)C(=O)C2(Oc3c(c(=O)n(C)c(=O)n3C)C2c2ccccc2)C1=O
InChIInChI=1S/C19H20N4O5/c1-20-10-21(2)17(26)19(16(20)25)13(11-8-6-5-7-9-11)12-14(24)22(3)18(27)23(4)15(12)28-19/h5-9,13H,10H2,1-4H3
InChIKeySWDKDBFQTYJTMH-UHFFFAOYSA-N
XLogP-0.76
TPSA93.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 5-0.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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
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
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
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
(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 102263224
(6aS,9R,10aS)-2,4,6,6,9-pentamethyl-6a,7,8,9,10,10a-hexahydroisochromeno[3,4-d]pyrimidine-1,3-dione
CID 12682591
7-amino-1,3-dimethyl-2,4-dioxo-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2815157
(5S,7S)-1,3-dimethyl-7-(2-oxo-1,3-oxazolidin-3-yl)-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 11739804
5-(4-hydroxyphenyl)-1,3-dimethyl-5,6-dihydropyrimido[4,5-b][1,5]benzoxazepine-2,4-dione
CID 659634
(5S)-5-(3-hydroxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 51894179
(3aR,6aS)-5-methyl-4-phenyl-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrole-1,3-dione
CID 67757259

Frequently Asked Questions

What is the IUPAC name of 1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone?
The IUPAC name of 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) is 1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone.
What is the SMILES notation for 1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone?
The canonical SMILES for 1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone is CN1CN(C)C(=O)C2(Oc3c(c(=O)n(C)c(=O)n3C)C2c2ccccc2)C1=O.
What is the InChIKey of 1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone?
The InChIKey is SWDKDBFQTYJTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O5/c1-20-10-21(2)17(26)19(16(20)25)13(11-8-6-5-7-9-11)12-14(24)22(3)18(27)23(4)15(12)28-19/h5-9,13H,10H2,1-4H3.
What are the key properties of 1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone?
1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone has a molecular weight of 384.39 g/mol, XLogP of -0.76, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1',3,3'-tetramethyl-5'-phenylspiro[1,3-diazinane-5,6'-5H-furo[2,3-d]pyrimidine]-2',4,4',6-tetrone is sourced from PubChem (CID 102262087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).