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

C15H18N6O3 — CID 95766111

IUPAC1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1nc([C@@H]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)no1
InChIInChI=1S/C15H18N6O3/c1-9-17-12(18-24-9)10-5-4-6-21(8-10)13-11(7-16)14(22)20(3)15(23)19(13)2/h10H,4-6,8H2,1-3H3/t10-/m1/s1
InChIKeyICKHYWDYSVRRCW-SNVBAGLBSA-N
MW330.35 g/mol
LogP0.03
Rot. Bonds2

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

1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 95766111) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is 1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID95766111
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC Name1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1nc([C@@H]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)no1
InChIInChI=1S/C15H18N6O3/c1-9-17-12(18-24-9)10-5-4-6-21(8-10)13-11(7-16)14(22)20(3)15(23)19(13)2/h10H,4-6,8H2,1-3H3/t10-/m1/s1
InChIKeyICKHYWDYSVRRCW-SNVBAGLBSA-N
XLogP0.03
TPSA109.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133287265
1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile
CID 75448241
1,3-dimethyl-2,4-dioxo-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 133308264
5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95766144
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 95978040
4-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133374866
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
3-cyclopentyl-5-methyl-1,2,4-oxadiazole
CID 90327686
4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133331953
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidine-5-carbonitrile
CID 95278508
2-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]acetamide
CID 95821372
4-[3-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-3-oxopropyl]benzonitrile
CID 95734419

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile (CID 95766111) is 1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile is Cc1nc([C@@H]2CCCN(c3c(C#N)c(=O)n(C)c(=O)n3C)C2)no1.
What is the InChIKey of 1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is ICKHYWDYSVRRCW-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18N6O3/c1-9-17-12(18-24-9)10-5-4-6-21(8-10)13-11(7-16)14(22)20(3)15(23)19(13)2/h10H,4-6,8H2,1-3H3/t10-/m1/s1.
What are the key properties of 1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 330.35 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 95766111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).