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

C11H15N5O3 — CID 54903376

IUPAC1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCc1noc(CNCc2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C11H15N5O3/c1-7-13-9(19-14-7)6-12-5-8-4-10(17)16(3)11(18)15(8)2/h4,12H,5-6H2,1-3H3
InChIKeyXIPNKFQYIWUHEY-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.93
Rot. Bonds4

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

1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione (PubChem CID 54903376) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
PubChem CID54903376
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione
SMILESCc1noc(CNCc2cc(=O)n(C)c(=O)n2C)n1
InChIInChI=1S/C11H15N5O3/c1-7-13-9(19-14-7)6-12-5-8-4-10(17)16(3)11(18)15(8)2/h4,12H,5-6H2,1-3H3
InChIKeyXIPNKFQYIWUHEY-UHFFFAOYSA-N
XLogP-0.93
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione (CID 54903376) is 1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione is Cc1noc(CNCc2cc(=O)n(C)c(=O)n2C)n1.
What is the InChIKey of 1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
The InChIKey is XIPNKFQYIWUHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-7-13-9(19-14-7)6-12-5-8-4-10(17)16(3)11(18)15(8)2/h4,12H,5-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione?
1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione has a molecular weight of 265.27 g/mol, XLogP of -0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-[[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 54903376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).