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

C11H15N5O3 — CID 171384038

IUPAC6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one
SMILESCCN1C(=O)C(=C(O)O)Nc2cnc(N(C)C)nc21
InChIInChI=1S/C11H15N5O3/c1-4-16-8-6(5-12-11(14-8)15(2)3)13-7(9(16)17)10(18)19/h5,13,18-19H,4H2,1-3H3
InChIKeySPDPTFBIMIXMID-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.61
Rot. Bonds2

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

6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one (PubChem CID 171384038) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one.

Molecular Properties

Compound Name6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one
PubChem CID171384038
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one
SMILESCCN1C(=O)C(=C(O)O)Nc2cnc(N(C)C)nc21
InChIInChI=1S/C11H15N5O3/c1-4-16-8-6(5-12-11(14-8)15(2)3)13-7(9(16)17)10(18)19/h5,13,18-19H,4H2,1-3H3
InChIKeySPDPTFBIMIXMID-UHFFFAOYSA-N
XLogP0.61
TPSA101.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
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)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one?
The IUPAC name of 6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one (CID 171384038) is 6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one.
What is the SMILES notation for 6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one?
The canonical SMILES for 6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one is CCN1C(=O)C(=C(O)O)Nc2cnc(N(C)C)nc21.
What is the InChIKey of 6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one?
The InChIKey is SPDPTFBIMIXMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-4-16-8-6(5-12-11(14-8)15(2)3)13-7(9(16)17)10(18)19/h5,13,18-19H,4H2,1-3H3.
What are the key properties of 6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one?
6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one has a molecular weight of 265.27 g/mol, XLogP of 0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dihydroxymethylidene)-2-(dimethylamino)-8-ethyl-5H-pteridin-7-one is sourced from PubChem (CID 171384038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).