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

C11H16N6O3 — CID 103703203

IUPAC6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2noc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N6O3/c1-3-4-17-9(12)8(10(18)15-11(17)19)13-5-7-14-6(2)20-16-7/h13H,3-5,12H2,1-2H3,(H,15,18,19)
InChIKeyNLUICQGOSQJJAF-UHFFFAOYSA-N
MW280.29 g/mol
LogP-0.17
Rot. Bonds5

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

6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 103703203) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID103703203
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2noc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N6O3/c1-3-4-17-9(12)8(10(18)15-11(17)19)13-5-7-14-6(2)20-16-7/h13H,3-5,12H2,1-2H3,(H,15,18,19)
InChIKeyNLUICQGOSQJJAF-UHFFFAOYSA-N
XLogP-0.17
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione (CID 103703203) is 6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCc2noc(C)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is NLUICQGOSQJJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-3-4-17-9(12)8(10(18)15-11(17)19)13-5-7-14-6(2)20-16-7/h13H,3-5,12H2,1-2H3,(H,15,18,19).
What are the key properties of 6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 280.29 g/mol, XLogP of -0.17, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 103703203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).