(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

C19H18N4O6 — CID 125121936

IUPAC(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
SMILESCN1C(=O)N(C)C(=O)C2(Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C19H18N4O6/c1-20-13(24)11-12(10-8-6-5-7-9-10)19(29-14(11)21(2)17(20)27)15(25)22(3)18(28)23(4)16(19)26/h5-9,12H,1-4H3/t12-/m0/s1
InChIKeyARYOTFKSFUYFEY-LBPRGKRZSA-N
MW398.38 g/mol
LogP-0.60
Rot. Bonds1

About (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

(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 (PubChem CID 125121936) has the molecular formula C19H18N4O6 and a molecular weight of 398.38 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID125121936
Molecular FormulaC19H18N4O6
Molecular Weight398.38 g/mol
Exact Mass398.12
IUPAC Name(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
SMILESCN1C(=O)N(C)C(=O)C2(Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C19H18N4O6/c1-20-13(24)11-12(10-8-6-5-7-9-10)19(29-14(11)21(2)17(20)27)15(25)22(3)18(28)23(4)16(19)26/h5-9,12H,1-4H3/t12-/m0/s1
InChIKeyARYOTFKSFUYFEY-LBPRGKRZSA-N
XLogP-0.60
TPSA110.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
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
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
(5S,7S)-7-ethoxy-1,3-dimethyl-5-phenyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine-2,4-dione
CID 102263224
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
7-amino-1,3-dimethyl-2,4-dioxo-5-phenyl-5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
CID 2815157
methyl (1S,9S,10S)-4,6-dimethyl-9-(4-methylphenyl)-3,5-dioxo-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraene-10-carboxylate
CID 102422371
(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-[(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-diphenylphosphanyl-6-[(4S)-5-diphenylphosphanyl-1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 59210941

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CN1C(=O)N(C)C(=O)C2(Oc3c(c(=O)n(C)c(=O)n3C)[C@@H]2c2ccccc2)C1=O.
What is the InChIKey of (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?
The InChIKey is ARYOTFKSFUYFEY-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18N4O6/c1-20-13(24)11-12(10-8-6-5-7-9-10)19(29-14(11)21(2)17(20)27)15(25)22(3)18(28)23(4)16(19)26/h5-9,12H,1-4H3/t12-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 398.38 g/mol, XLogP of -0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 125121936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).