8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione

C21H27N5O5 — CID 91436234

IUPAC8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCC(O)C(O)CO)c2cc1NC1CCCC1
InChIInChI=1S/C21H27N5O5/c1-11-8-14-15(9-13(11)22-12-4-2-3-5-12)26(7-6-16(28)17(29)10-27)19-18(23-14)20(30)25-21(31)24-19/h8-9,12,16-17,22,27-29H,2-7,10H2,1H3,(H,25,30,31)
InChIKeyKNLRQJHMWAXQHC-UHFFFAOYSA-N
MW429.48 g/mol
LogP0.35
Rot. Bonds7

About 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione

8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione (PubChem CID 91436234) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione.

Molecular Properties

Compound Name8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione
PubChem CID91436234
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC Name8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione
SMILESCc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCC(O)C(O)CO)c2cc1NC1CCCC1
InChIInChI=1S/C21H27N5O5/c1-11-8-14-15(9-13(11)22-12-4-2-3-5-12)26(7-6-16(28)17(29)10-27)19-18(23-14)20(30)25-21(31)24-19/h8-9,12,16-17,22,27-29H,2-7,10H2,1H3,(H,25,30,31)
InChIKeyKNLRQJHMWAXQHC-UHFFFAOYSA-N
XLogP0.35
TPSA153.36 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 50.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione?
The IUPAC name of 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione (CID 91436234) is 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione.
What is the SMILES notation for 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione?
The canonical SMILES for 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione is Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCC(O)C(O)CO)c2cc1NC1CCCC1.
What is the InChIKey of 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione?
The InChIKey is KNLRQJHMWAXQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-11-8-14-15(9-13(11)22-12-4-2-3-5-12)26(7-6-16(28)17(29)10-27)19-18(23-14)20(30)25-21(31)24-19/h8-9,12,16-17,22,27-29H,2-7,10H2,1H3,(H,25,30,31).
What are the key properties of 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione?
8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione has a molecular weight of 429.48 g/mol, XLogP of 0.35, 7 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylamino)-7-methyl-10-(3,4,5-trihydroxypentyl)benzo[g]pteridine-2,4-dione is sourced from PubChem (CID 91436234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).