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

C12H18N6O3 — CID 103703171

IUPAC6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCc2noc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N6O3/c1-3-4-5-18-10(13)9(11(19)16-12(18)20)14-6-8-15-7(2)21-17-8/h14H,3-6,13H2,1-2H3,(H,16,19,20)
InChIKeyICAREFOLWQPSHI-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.22
Rot. Bonds6

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

6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione (PubChem CID 103703171) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione
PubChem CID103703171
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCc2noc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N6O3/c1-3-4-5-18-10(13)9(11(19)16-12(18)20)14-6-8-15-7(2)21-17-8/h14H,3-6,13H2,1-2H3,(H,16,19,20)
InChIKeyICAREFOLWQPSHI-UHFFFAOYSA-N
XLogP0.22
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione (CID 103703171) is 6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(NCc2noc(C)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione?
The InChIKey is ICAREFOLWQPSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-3-4-5-18-10(13)9(11(19)16-12(18)20)14-6-8-15-7(2)21-17-8/h14H,3-6,13H2,1-2H3,(H,16,19,20).
What are the key properties of 6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione has a molecular weight of 294.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 103703171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).