10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione

C17H22N4O3 — CID 58816486

IUPAC10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione
SMILESCc1cc2c(cc1C)N(CC(C)(C)CO)C1=NC(=O)NC(=O)C1N2
InChIInChI=1S/C17H22N4O3/c1-9-5-11-12(6-10(9)2)21(7-17(3,4)8-22)14-13(18-11)15(23)20-16(24)19-14/h5-6,13,18,22H,7-8H2,1-4H3,(H,20,23,24)
InChIKeyINUCCFSKFLCLST-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.57
Rot. Bonds3

About 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione

10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione (PubChem CID 58816486) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione
PubChem CID58816486
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione
SMILESCc1cc2c(cc1C)N(CC(C)(C)CO)C1=NC(=O)NC(=O)C1N2
InChIInChI=1S/C17H22N4O3/c1-9-5-11-12(6-10(9)2)21(7-17(3,4)8-22)14-13(18-11)15(23)20-16(24)19-14/h5-6,13,18,22H,7-8H2,1-4H3,(H,20,23,24)
InChIKeyINUCCFSKFLCLST-UHFFFAOYSA-N
XLogP1.57
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione with MolForge

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Related Compounds

Lumiflavin
CID 66184
7,8-Dimethyl-10-formylmethylisoalloxazine
CID 73221
10-(2,2-Dihydroxyethyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 101368038
Ethanol lumiflavine
CID 94789
10-(6-Hydroxyhexyl)-7,8-dimethylbenzo[g]pteridine-2,4-dione
CID 10410619
7,8-Dimethyl-10-{2-[bis(2-hydroxyethyl)amino]ethyl}isoalloxazine
CID 90673592
7,8-Diethyl-10-{2-[bis(2-hydroxyethyl)amino]ethyl}isoalloxazine hydrochloride
CID 90673597
Carboxymethylflavin
CID 192986
1-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo(g)pteridin-10(2H)-yl)pentitol
CID 58683
Riboflavine, 4a,5-dihydro-, 5'-phosphate, sodium salt
CID 133065634
N-(3-aminopropyl)-2-[7,8-dimethyl-2,4-dioxo-10-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]benzo[g]pteridin-3-yl]acetamide
CID 57393523
10-[2-[Bis(2-hydroxyethyl)amino]ethyl]-7-ethyl-8-methylbenzo[g]pteridine-2,4-dione;hydrochloride
CID 90673595

Frequently Asked Questions

What is the IUPAC name of 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione (CID 58816486) is 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione is Cc1cc2c(cc1C)N(CC(C)(C)CO)C1=NC(=O)NC(=O)C1N2.
What is the InChIKey of 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione?
The InChIKey is INUCCFSKFLCLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-9-5-11-12(6-10(9)2)21(7-17(3,4)8-22)14-13(18-11)15(23)20-16(24)19-14/h5-6,13,18,22H,7-8H2,1-4H3,(H,20,23,24).
What are the key properties of 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione?
10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione has a molecular weight of 330.39 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3-hydroxy-2,2-dimethylpropyl)-7,8-dimethyl-4a,5-dihydrobenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 58816486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).