1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile

C12H14N6O3 — CID 75401536

IUPAC1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1nc(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)no1
InChIInChI=1S/C12H14N6O3/c1-7-14-9(15-21-7)6-16(2)10-8(5-13)11(19)18(4)12(20)17(10)3/h6H2,1-4H3
InChIKeyMLEQSIQNIVAMPP-UHFFFAOYSA-N
MW290.28 g/mol
LogP-0.72
Rot. Bonds3

About 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 75401536) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID75401536
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1nc(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)no1
InChIInChI=1S/C12H14N6O3/c1-7-14-9(15-21-7)6-16(2)10-8(5-13)11(19)18(4)12(20)17(10)3/h6H2,1-4H3
InChIKeyMLEQSIQNIVAMPP-UHFFFAOYSA-N
XLogP-0.72
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 5-0.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile (CID 75401536) is 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile is Cc1nc(CN(C)c2c(C#N)c(=O)n(C)c(=O)n2C)no1.
What is the InChIKey of 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is MLEQSIQNIVAMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-7-14-9(15-21-7)6-16(2)10-8(5-13)11(19)18(4)12(20)17(10)3/h6H2,1-4H3.
What are the key properties of 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 290.28 g/mol, XLogP of -0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 75401536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).