10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione

C17H21N5O2 — CID 90306732

IUPAC10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione
SMILESCCCn1c(=O)nc2n(CCN)c3cc(C)c(C)cc3nc-2c1=O
InChIInChI=1S/C17H21N5O2/c1-4-6-22-16(23)14-15(20-17(22)24)21(7-5-18)13-9-11(3)10(2)8-12(13)19-14/h8-9H,4-7,18H2,1-3H3
InChIKeySIIMLWMGGSOERP-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.04
Rot. Bonds4

About 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione

10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione (PubChem CID 90306732) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione
PubChem CID90306732
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione
SMILESCCCn1c(=O)nc2n(CCN)c3cc(C)c(C)cc3nc-2c1=O
InChIInChI=1S/C17H21N5O2/c1-4-6-22-16(23)14-15(20-17(22)24)21(7-5-18)13-9-11(3)10(2)8-12(13)19-14/h8-9H,4-7,18H2,1-3H3
InChIKeySIIMLWMGGSOERP-UHFFFAOYSA-N
XLogP1.04
TPSA95.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminoethyl)-7,8-dimethyl-10-[2-(3-methyloxiran-2-yl)ethyl]benzo[g]pteridine-2,4-dione
CID 145375712
10-butyl-7,8-dimethyl-3-[3-[4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]propyl]benzo[g]pteridine-2,4-dione diiodide
CID 157107350
10-butyl-7,8-dimethyl-3-[3-(4-pyridin-1-ium-4-ylpyridin-1-ium-1-yl)propyl]benzo[g]pteridine-2,4-dione
CID 140726719
2-(3-ethyl-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl 2-[(1R,2R,7R,8R)-12-[2-[2-(3-ethyl-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethoxy]-2-oxoethyl]-4,6,9,11-tetraoxo-3,5,10,12-tetrazatricyclo[6.4.0.02,7]dodecan-3-yl]acetate
CID 10677291
5,6-dimethyl-1-propylbenzimidazol-2-amine
CID 82359039
2,5,6-trimethyl-1-propylbenzimidazole
CID 23609987
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
tritert-butyl 10-[2-(10-butyl-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-3-yl)acetyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 11331839
3,10-dihexylbenzo[g]pteridine-2,4-dione
CID 11783901
2-ethyl-5,6-dimethyl-1-propylbenzimidazole
CID 143667898
[(2S,3R,4R)-2,3,4-triacetyloxy-5-[3-[2-(2-aminoethoxy)ethyl]-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl]pentyl] acetate;2,2,2-trifluoroacetic acid
CID 163320742
2-(5,6-dimethyl-2-propan-2-ylbenzimidazol-1-yl)ethanamine
CID 82145095

Frequently Asked Questions

What is the IUPAC name of 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione?
The IUPAC name of 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione (CID 90306732) is 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione.
What is the SMILES notation for 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione?
The canonical SMILES for 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione is CCCn1c(=O)nc2n(CCN)c3cc(C)c(C)cc3nc-2c1=O.
What is the InChIKey of 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione?
The InChIKey is SIIMLWMGGSOERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-6-22-16(23)14-15(20-17(22)24)21(7-5-18)13-9-11(3)10(2)8-12(13)19-14/h8-9H,4-7,18H2,1-3H3.
What are the key properties of 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione?
10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione has a molecular weight of 327.39 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-aminoethyl)-7,8-dimethyl-3-propylbenzo[g]pteridine-2,4-dione is sourced from PubChem (CID 90306732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).