6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one

C11H15N5O3 — CID 171384145

IUPAC6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one
SMILESCCNc1ncc2c(n1)N(CC)C(=O)C(=C(O)O)N2
InChIInChI=1S/C11H15N5O3/c1-3-12-11-13-5-6-8(15-11)16(4-2)9(17)7(14-6)10(18)19/h5,14,18-19H,3-4H2,1-2H3,(H,12,13,15)
InChIKeySPJGLRSBPMGHIT-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.97
Rot. Bonds3

About 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one

6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one (PubChem CID 171384145) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one.

Molecular Properties

Compound Name6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one
PubChem CID171384145
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one
SMILESCCNc1ncc2c(n1)N(CC)C(=O)C(=C(O)O)N2
InChIInChI=1S/C11H15N5O3/c1-3-12-11-13-5-6-8(15-11)16(4-2)9(17)7(14-6)10(18)19/h5,14,18-19H,3-4H2,1-2H3,(H,12,13,15)
InChIKeySPJGLRSBPMGHIT-UHFFFAOYSA-N
XLogP0.97
TPSA110.61 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one?
The IUPAC name of 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one (CID 171384145) is 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one.
What is the SMILES notation for 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one?
The canonical SMILES for 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one is CCNc1ncc2c(n1)N(CC)C(=O)C(=C(O)O)N2.
What is the InChIKey of 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one?
The InChIKey is SPJGLRSBPMGHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-3-12-11-13-5-6-8(15-11)16(4-2)9(17)7(14-6)10(18)19/h5,14,18-19H,3-4H2,1-2H3,(H,12,13,15).
What are the key properties of 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one?
6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one has a molecular weight of 265.27 g/mol, XLogP of 0.97, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dihydroxymethylidene)-8-ethyl-2-(ethylamino)-5H-pteridin-7-one is sourced from PubChem (CID 171384145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).