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

C9H12N6O3 — CID 118969967

IUPAC5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1noc(Cn2c(=O)c(N)c(N)n(C)c2=O)n1
InChIInChI=1S/C9H12N6O3/c1-4-12-5(18-13-4)3-15-8(16)6(10)7(11)14(2)9(15)17/h3,10-11H2,1-2H3
InChIKeyYIPKQSVMUYSNIA-UHFFFAOYSA-N
MW252.23 g/mol
LogP-1.55
Rot. Bonds2

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

5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 118969967) has the molecular formula C9H12N6O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is 5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID118969967
Molecular FormulaC9H12N6O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Name5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1noc(Cn2c(=O)c(N)c(N)n(C)c2=O)n1
InChIInChI=1S/C9H12N6O3/c1-4-12-5(18-13-4)3-15-8(16)6(10)7(11)14(2)9(15)17/h3,10-11H2,1-2H3
InChIKeyYIPKQSVMUYSNIA-UHFFFAOYSA-N
XLogP-1.55
TPSA134.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione (CID 118969967) is 5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione is Cc1noc(Cn2c(=O)c(N)c(N)n(C)c2=O)n1.
What is the InChIKey of 5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is YIPKQSVMUYSNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O3/c1-4-12-5(18-13-4)3-15-8(16)6(10)7(11)14(2)9(15)17/h3,10-11H2,1-2H3.
What are the key properties of 5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 252.23 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-1-methyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 118969967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).