ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium

C11H13N3OY-2 — CID 59421519

IUPACethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium
SMILES[CH2-]C.[CH2-]Cc1ncnc2[nH]c(=O)ccc12.[Y]
InChIInChI=1S/C9H8N3O.C2H5.Y/c1-2-7-6-3-4-8(13)12-9(6)11-5-10-7;1-2;/h3-5H,1-2H2,(H,10,11,12,13);1H2,2H3;/q2*-1;
InChIKeyLOYJMRDYATYYRA-UHFFFAOYSA-N
MW292.15 g/mol
LogP1.53
Rot. Bonds1

About ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium

ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium (PubChem CID 59421519) has the molecular formula C11H13N3OY-2 and a molecular weight of 292.15 g/mol. Its IUPAC name is ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium.

Molecular Properties

Compound Nameethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium
PubChem CID59421519
Molecular FormulaC11H13N3OY-2
Molecular Weight292.15 g/mol
Exact Mass292.01
IUPAC Nameethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium
SMILES[CH2-]C.[CH2-]Cc1ncnc2[nH]c(=O)ccc12.[Y]
InChIInChI=1S/C9H8N3O.C2H5.Y/c1-2-7-6-3-4-8(13)12-9(6)11-5-10-7;1-2;/h3-5H,1-2H2,(H,10,11,12,13);1H2,2H3;/q2*-1;
InChIKeyLOYJMRDYATYYRA-UHFFFAOYSA-N
XLogP1.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium?
The IUPAC name of ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium (CID 59421519) is ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium.
What is the SMILES notation for ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium?
The canonical SMILES for ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium is [CH2-]C.[CH2-]Cc1ncnc2[nH]c(=O)ccc12.[Y].
What is the InChIKey of ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium?
The InChIKey is LOYJMRDYATYYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N3O.C2H5.Y/c1-2-7-6-3-4-8(13)12-9(6)11-5-10-7;1-2;/h3-5H,1-2H2,(H,10,11,12,13);1H2,2H3;/q2*-1;.
What are the key properties of ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium?
ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium has a molecular weight of 292.15 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-8H-pyrido[2,3-d]pyrimidin-7-one;yttrium is sourced from PubChem (CID 59421519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).