5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione

C12H11N7O3 — CID 24794542

IUPAC5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione
SMILESCCOc1nc(N)nc2ncc(-c3c[nH]c(=O)[nH]c3=O)nc12
InChIInChI=1S/C12H11N7O3/c1-2-22-10-7-8(17-11(13)19-10)14-4-6(16-7)5-3-15-12(21)18-9(5)20/h3-4H,2H2,1H3,(H2,13,14,17,19)(H2,15,18,20,21)
InChIKeyATYOUOPMOFYYPQ-UHFFFAOYSA-N
MW301.27 g/mol
LogP-0.56
Rot. Bonds3

About 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione

5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione (PubChem CID 24794542) has the molecular formula C12H11N7O3 and a molecular weight of 301.27 g/mol. Its IUPAC name is 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione
PubChem CID24794542
Molecular FormulaC12H11N7O3
Molecular Weight301.27 g/mol
Exact Mass301.09
IUPAC Name5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione
SMILESCCOc1nc(N)nc2ncc(-c3c[nH]c(=O)[nH]c3=O)nc12
InChIInChI=1S/C12H11N7O3/c1-2-22-10-7-8(17-11(13)19-10)14-4-6(16-7)5-3-15-12(21)18-9(5)20/h3-4H,2H2,1H3,(H2,13,14,17,19)(H2,15,18,20,21)
InChIKeyATYOUOPMOFYYPQ-UHFFFAOYSA-N
XLogP-0.56
TPSA152.53 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione (CID 24794542) is 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione is CCOc1nc(N)nc2ncc(-c3c[nH]c(=O)[nH]c3=O)nc12.
What is the InChIKey of 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is ATYOUOPMOFYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N7O3/c1-2-22-10-7-8(17-11(13)19-10)14-4-6(16-7)5-3-15-12(21)18-9(5)20/h3-4H,2H2,1H3,(H2,13,14,17,19)(H2,15,18,20,21).
What are the key properties of 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione?
5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 301.27 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-4-ethoxypteridin-6-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 24794542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).