6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione

C12H18N6O3 — CID 106404065

IUPAC6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCc2ncno2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N6O3/c1-3-6-18-10(13)9(11(19)17(2)12(18)20)14-5-4-8-15-7-16-21-8/h7,14H,3-6,13H2,1-2H3
InChIKeyYFEXDDRLIYRCEC-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.42
Rot. Bonds6

About 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione

6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 106404065) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
PubChem CID106404065
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCCc2ncno2)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N6O3/c1-3-6-18-10(13)9(11(19)17(2)12(18)20)14-5-4-8-15-7-16-21-8/h7,14H,3-6,13H2,1-2H3
InChIKeyYFEXDDRLIYRCEC-UHFFFAOYSA-N
XLogP-0.42
TPSA120.97 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione (CID 106404065) is 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCCc2ncno2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is YFEXDDRLIYRCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-3-6-18-10(13)9(11(19)17(2)12(18)20)14-5-4-8-15-7-16-21-8/h7,14H,3-6,13H2,1-2H3.
What are the key properties of 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 294.31 g/mol, XLogP of -0.42, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 106404065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).