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

C14H21N5O2 — CID 133287265

IUPAC4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(C)C1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H21N5O2/c1-16(2)10-6-5-7-19(9-10)12-11(8-15)13(20)18(4)14(21)17(12)3/h10H,5-7,9H2,1-4H3
InChIKeyWXMQICOHYVOGTP-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.51
Rot. Bonds2

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

4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133287265) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133287265
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(C)C1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1
InChIInChI=1S/C14H21N5O2/c1-16(2)10-6-5-7-19(9-10)12-11(8-15)13(20)18(4)14(21)17(12)3/h10H,5-7,9H2,1-4H3
InChIKeyWXMQICOHYVOGTP-UHFFFAOYSA-N
XLogP-0.51
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(3-hydroxy-4-methylpiperidin-1-yl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133446572
1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
CID 133316013
1,3-dimethyl-2,4-dioxo-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 133308264
1,3-dimethyl-4-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2,6-dioxopyrimidine-5-carbonitrile
CID 95766111
4-[3-(2-methoxyethoxymethyl)pyrrolidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133331953
1,3-dimethyl-2,4-dioxo-6-(2-propan-2-ylmorpholin-4-yl)pyrimidine-5-carbonitrile
CID 75448241
3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 63091576
4-[(2S)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 95346405
1,3-dimethyl-2,4-dioxo-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 95978040
1,3-dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 17449906
1,3-dimethyl-2,4-dioxo-6-(4-propanoyl-1,4-diazepan-1-yl)pyrimidine-5-carbonitrile
CID 56797238
4-[2-(2-hydroxyethyl)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 78835644

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile (CID 133287265) is 4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is CN(C)C1CCCN(c2c(C#N)c(=O)n(C)c(=O)n2C)C1.
What is the InChIKey of 4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is WXMQICOHYVOGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-16(2)10-6-5-7-19(9-10)12-11(8-15)13(20)18(4)14(21)17(12)3/h10H,5-7,9H2,1-4H3.
What are the key properties of 4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile?
4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 291.36 g/mol, XLogP of -0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133287265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).