6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione

C15H24N6O4 — CID 35545915

IUPAC6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCOC)Cc2nc(C)no2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N6O4/c1-4-5-6-21-13(16)12(14(22)18-15(21)23)20(7-8-24-3)9-11-17-10(2)19-25-11/h4-9,16H2,1-3H3,(H,18,22,23)
InChIKeyAPYYTZSAXYBWOF-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.26
Rot. Bonds9

About 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione (PubChem CID 35545915) has the molecular formula C15H24N6O4 and a molecular weight of 352.40 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione
PubChem CID35545915
Molecular FormulaC15H24N6O4
Molecular Weight352.40 g/mol
Exact Mass352.19
IUPAC Name6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(CCOC)Cc2nc(C)no2)c(=O)[nH]c1=O
InChIInChI=1S/C15H24N6O4/c1-4-5-6-21-13(16)12(14(22)18-15(21)23)20(7-8-24-3)9-11-17-10(2)19-25-11/h4-9,16H2,1-3H3,(H,18,22,23)
InChIKeyAPYYTZSAXYBWOF-UHFFFAOYSA-N
XLogP0.26
TPSA132.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione (CID 35545915) is 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(CCOC)Cc2nc(C)no2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
The InChIKey is APYYTZSAXYBWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O4/c1-4-5-6-21-13(16)12(14(22)18-15(21)23)20(7-8-24-3)9-11-17-10(2)19-25-11/h4-9,16H2,1-3H3,(H,18,22,23).
What are the key properties of 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione has a molecular weight of 352.40 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[2-methoxyethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]pyrimidine-2,4-dione is sourced from PubChem (CID 35545915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).