ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate

C13H25N3O3 — CID 144939649

IUPACethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate
SMILESCC.CC.CCOC(=O)Cn1cc(C)c(N)nc1=O
InChIInChI=1S/C9H13N3O3.2C2H6/c1-3-15-7(13)5-12-4-6(2)8(10)11-9(12)14;2*1-2/h4H,3,5H2,1-2H3,(H2,10,11,14);2*1-2H3
InChIKeyWPNOGPCVCXRUGP-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.75
Rot. Bonds3

About ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate

ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate (PubChem CID 144939649) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate
PubChem CID144939649
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nameethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate
SMILESCC.CC.CCOC(=O)Cn1cc(C)c(N)nc1=O
InChIInChI=1S/C9H13N3O3.2C2H6/c1-3-15-7(13)5-12-4-6(2)8(10)11-9(12)14;2*1-2/h4H,3,5H2,1-2H3,(H2,10,11,14);2*1-2H3
InChIKeyWPNOGPCVCXRUGP-UHFFFAOYSA-N
XLogP1.75
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate (CID 144939649) is ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate is CC.CC.CCOC(=O)Cn1cc(C)c(N)nc1=O.
What is the InChIKey of ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate?
The InChIKey is WPNOGPCVCXRUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3.2C2H6/c1-3-15-7(13)5-12-4-6(2)8(10)11-9(12)14;2*1-2/h4H,3,5H2,1-2H3,(H2,10,11,14);2*1-2H3.
What are the key properties of ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate?
ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate has a molecular weight of 271.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 2-(4-amino-5-methyl-2-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 144939649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).