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

C8H9N5O3 — CID 106402484

IUPAC6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(N)cc(=O)[nH]c2=O)no1
InChIInChI=1S/C8H9N5O3/c1-4-10-6(12-16-4)3-13-5(9)2-7(14)11-8(13)15/h2H,3,9H2,1H3,(H,11,14,15)
InChIKeyVYNXEGIGBMECBD-UHFFFAOYSA-N
MW223.19 g/mol
LogP-1.14
Rot. Bonds2

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

6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 106402484) has the molecular formula C8H9N5O3 and a molecular weight of 223.19 g/mol. Its IUPAC name is 6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID106402484
Molecular FormulaC8H9N5O3
Molecular Weight223.19 g/mol
Exact Mass223.07
IUPAC Name6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCc1nc(Cn2c(N)cc(=O)[nH]c2=O)no1
InChIInChI=1S/C8H9N5O3/c1-4-10-6(12-16-4)3-13-5(9)2-7(14)11-8(13)15/h2H,3,9H2,1H3,(H,11,14,15)
InChIKeyVYNXEGIGBMECBD-UHFFFAOYSA-N
XLogP-1.14
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.19
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione (CID 106402484) is 6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione is Cc1nc(Cn2c(N)cc(=O)[nH]c2=O)no1.
What is the InChIKey of 6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is VYNXEGIGBMECBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O3/c1-4-10-6(12-16-4)3-13-5(9)2-7(14)11-8(13)15/h2H,3,9H2,1H3,(H,11,14,15).
What are the key properties of 6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione?
6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 223.19 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106402484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).