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

C15H19N7O3 — CID 43069756

IUPAC1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1noc(CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)n1
InChIInChI=1S/C15H19N7O3/c1-10-17-12(25-18-10)9-21-4-6-22(7-5-21)13-11(8-16)14(23)20(3)15(24)19(13)2/h4-7,9H2,1-3H3
InChIKeyWYNFMFRVQZIVOM-UHFFFAOYSA-N
MW345.36 g/mol
LogP-1.03
Rot. Bonds3

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

1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 43069756) has the molecular formula C15H19N7O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID43069756
Molecular FormulaC15H19N7O3
Molecular Weight345.36 g/mol
Exact Mass345.15
IUPAC Name1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1noc(CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)n1
InChIInChI=1S/C15H19N7O3/c1-10-17-12(25-18-10)9-21-4-6-22(7-5-21)13-11(8-16)14(23)20(3)15(24)19(13)2/h4-7,9H2,1-3H3
InChIKeyWYNFMFRVQZIVOM-UHFFFAOYSA-N
XLogP-1.03
TPSA113.19 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 5-1.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-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

Related Compounds

1-Cyclopropyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36992614
1-Cyclopropyl-3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 36992723
1-Cyclopropyl-2,4-dioxo-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
CID 36992724
1-Cyclopropyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
CID 36992731
3-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-ethyl-2,4-dioxopyrimidine-5-carbonitrile
CID 31532639
1-Ethyl-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2,4-dioxopyrimidine-5-carbonitrile
CID 35825503
1-Ethyl-2,4-dioxo-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-5-carbonitrile
CID 36825553
3-[(3-Tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 45811333
1,3-Dimethyl-4-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
CID 60312716
1,3-Dimethyl-4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
CID 72149633
4-[3-(5-Ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 72149684
1,3-Dimethyl-4-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]-2,6-dioxopyrimidine-5-carbonitrile
CID 75401536

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile (CID 43069756) is 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile is Cc1noc(CN2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)n1.
What is the InChIKey of 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is WYNFMFRVQZIVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7O3/c1-10-17-12(25-18-10)9-21-4-6-22(7-5-21)13-11(8-16)14(23)20(3)15(24)19(13)2/h4-7,9H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 345.36 g/mol, XLogP of -1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 43069756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).