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

C10H13N5O3 — CID 106393533

IUPAC1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2ncon2)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N5O3/c1-14-5-7(9(16)15(2)10(14)17)3-11-4-8-12-6-18-13-8/h5-6,11H,3-4H2,1-2H3
InChIKeyJQBLVLLNSGASFJ-UHFFFAOYSA-N
MW251.25 g/mol
LogP-1.24
Rot. Bonds4

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

1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione (PubChem CID 106393533) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione
PubChem CID106393533
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione
SMILESCn1cc(CNCc2ncon2)c(=O)n(C)c1=O
InChIInChI=1S/C10H13N5O3/c1-14-5-7(9(16)15(2)10(14)17)3-11-4-8-12-6-18-13-8/h5-6,11H,3-4H2,1-2H3
InChIKeyJQBLVLLNSGASFJ-UHFFFAOYSA-N
XLogP-1.24
TPSA94.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-5-[(pyridin-4-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28670574
5-[[(5-bromothiophen-2-yl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 54900402
5-[[(2-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28614149
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]acetic acid
CID 43135043
1,3-dimethyl-5-[(pyridin-3-ylmethylamino)methyl]pyrimidine-2,4-dione
CID 28671943
1,3-dimethyl-5-[(5-methylsulfanylpentylamino)methyl]pyrimidine-2,4-dione
CID 104923026
5-[(2,2-dimethylhydrazinyl)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 83004176
1-(2-bromophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393956
N-[2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)methylamino]ethyl]acetamide
CID 28710634
N-(1,2,4-oxadiazol-3-ylmethyl)-1-pyrimidin-2-ylmethanamine
CID 106398647
5-[(cyclohexylmethylamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43371413
1-(2-ethoxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106392785

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione (CID 106393533) is 1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione is Cn1cc(CNCc2ncon2)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione?
The InChIKey is JQBLVLLNSGASFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c1-14-5-7(9(16)15(2)10(14)17)3-11-4-8-12-6-18-13-8/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione?
1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione has a molecular weight of 251.25 g/mol, XLogP of -1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106393533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).