8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione

C12H21N5O2 — CID 78389293

IUPAC8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione
SMILESCN(C)C1CCC2NC3C(=O)NC(=O)NC3NC2C1
InChIInChI=1S/C12H21N5O2/c1-17(2)6-3-4-7-8(5-6)14-10-9(13-7)11(18)16-12(19)15-10/h6-10,13-14H,3-5H2,1-2H3,(H2,15,16,18,19)
InChIKeyLTAPTRIGSMOTEB-UHFFFAOYSA-N
MW267.33 g/mol
LogP-1.44
Rot. Bonds1

About 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione

8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione (PubChem CID 78389293) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione
PubChem CID78389293
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione
SMILESCN(C)C1CCC2NC3C(=O)NC(=O)NC3NC2C1
InChIInChI=1S/C12H21N5O2/c1-17(2)6-3-4-7-8(5-6)14-10-9(13-7)11(18)16-12(19)15-10/h6-10,13-14H,3-5H2,1-2H3,(H2,15,16,18,19)
InChIKeyLTAPTRIGSMOTEB-UHFFFAOYSA-N
XLogP-1.44
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione (CID 78389293) is 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione is CN(C)C1CCC2NC3C(=O)NC(=O)NC3NC2C1.
What is the InChIKey of 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione?
The InChIKey is LTAPTRIGSMOTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-17(2)6-3-4-7-8(5-6)14-10-9(13-7)11(18)16-12(19)15-10/h6-10,13-14H,3-5H2,1-2H3,(H2,15,16,18,19).
What are the key properties of 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione?
8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione has a molecular weight of 267.33 g/mol, XLogP of -1.44, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-4a,5,5a,6,7,8,9,9a,10,10a-decahydro-1H-benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 78389293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).