8-ethyl-1H-pteridine-2,4,7-trione

C8H8N4O3 — CID 110171590

IUPAC8-ethyl-1H-pteridine-2,4,7-trione
SMILESCCn1c(=O)cnc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C8H8N4O3/c1-2-12-4(13)3-9-5-6(12)10-8(15)11-7(5)14/h3H,2H2,1H3,(H2,10,11,14,15)
InChIKeyQCPHENGMBNXUTH-UHFFFAOYSA-N
MW208.18 g/mol
LogP-1.21
Rot. Bonds1

About 8-ethyl-1H-pteridine-2,4,7-trione

8-ethyl-1H-pteridine-2,4,7-trione (PubChem CID 110171590) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 8-ethyl-1H-pteridine-2,4,7-trione.

Molecular Properties

Compound Name8-ethyl-1H-pteridine-2,4,7-trione
PubChem CID110171590
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name8-ethyl-1H-pteridine-2,4,7-trione
SMILESCCn1c(=O)cnc2c(=O)[nH]c(=O)[nH]c21
InChIInChI=1S/C8H8N4O3/c1-2-12-4(13)3-9-5-6(12)10-8(15)11-7(5)14/h3H,2H2,1H3,(H2,10,11,14,15)
InChIKeyQCPHENGMBNXUTH-UHFFFAOYSA-N
XLogP-1.21
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

9-amino-3H-purine-2,6-dione
CID 57025497
9-tert-butyl-3H-purine-2,6-dione
CID 58320174
9-(3-methylbutyl)-3H-purine-2,6-dione
CID 57008768
7-bromo-1-ethylpyrido[3,2-d]pyrimidine-2,4-dione
CID 167186965
7-pentyl-1H-pteridine-2,4-dione
CID 69450647
9-[(4-methoxyphenyl)methyl]-3H-purine-2,6-dione
CID 174959582
9-(2,5-dipropylcyclopentyl)-3H-purine-2,6-dione
CID 67686995
9-[(3S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione
CID 171699514
9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-2,6-dione;dihydrate
CID 22508218
N-(5-ethyl-1,3-oxazol-2-yl)-2,6-dioxo-3H-purine-9-carboxamide
CID 142652243
10-ethyl-1H-pyrimido[4,5-b]quinoline-2,4,8-trione
CID 71421175
8-(methylamino)-9-(3-methylbutyl)-3H-purine-2,6-dione
CID 69118107

Frequently Asked Questions

What is the IUPAC name of 8-ethyl-1H-pteridine-2,4,7-trione?
The IUPAC name of 8-ethyl-1H-pteridine-2,4,7-trione (CID 110171590) is 8-ethyl-1H-pteridine-2,4,7-trione.
What is the SMILES notation for 8-ethyl-1H-pteridine-2,4,7-trione?
The canonical SMILES for 8-ethyl-1H-pteridine-2,4,7-trione is CCn1c(=O)cnc2c(=O)[nH]c(=O)[nH]c21.
What is the InChIKey of 8-ethyl-1H-pteridine-2,4,7-trione?
The InChIKey is QCPHENGMBNXUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-2-12-4(13)3-9-5-6(12)10-8(15)11-7(5)14/h3H,2H2,1H3,(H2,10,11,14,15).
What are the key properties of 8-ethyl-1H-pteridine-2,4,7-trione?
8-ethyl-1H-pteridine-2,4,7-trione has a molecular weight of 208.18 g/mol, XLogP of -1.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-1H-pteridine-2,4,7-trione is sourced from PubChem (CID 110171590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).