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

C19H23N5O2 — CID 133316013

IUPAC1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H23N5O2/c1-21(17-16(12-20)18(25)23(3)19(26)22(17)2)15-10-7-11-24(13-15)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-11,13H2,1-3H3
InChIKeyNHYDFCMCJCJPBU-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.06
Rot. Bonds3

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

1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 133316013) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID133316013
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C19H23N5O2/c1-21(17-16(12-20)18(25)23(3)19(26)22(17)2)15-10-7-11-24(13-15)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-11,13H2,1-3H3
InChIKeyNHYDFCMCJCJPBU-UHFFFAOYSA-N
XLogP1.06
TPSA74.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)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

Related Compounds

4-[3-(dimethylamino)piperidin-1-yl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 133287265
6-[methyl-(1-phenylpiperidin-3-yl)amino]pyridine-2-carbonitrile
CID 133392538
1,3-dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 17449906
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-phenylpyrrolidin-3-yl]methylamino]pyrimidine-5-carbonitrile
CID 36833360
4-[cyclohexyl(ethyl)amino]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbonitrile
CID 51531797
1,3-dimethyl-2,4-dioxo-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 133308264
1,3-dimethyl-4-[methyl-[(7S)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-7-yl]amino]-2,6-dioxopyrimidine-5-carbonitrile
CID 95316362
3-[2-[methyl-[(3R)-1-phenylpiperidin-3-yl]amino]ethyl]-1,3-oxazolidin-2-one
CID 97061273
2-[methyl-[1-(4-methylphenyl)piperidin-3-yl]amino]acetonitrile
CID 117004843
(3S)-N-(2-methoxyethyl)-N-methyl-1-phenylpiperidin-3-amine
CID 96567567
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
CID 119889710
2-[[1-(4-chlorophenyl)piperidin-3-yl]-methylamino]acetonitrile
CID 117004856

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile (CID 133316013) is 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile is CN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1CCCN(c2ccccc2)C1.
What is the InChIKey of 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is NHYDFCMCJCJPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-21(17-16(12-20)18(25)23(3)19(26)22(17)2)15-10-7-11-24(13-15)14-8-5-4-6-9-14/h4-6,8-9,15H,7,10-11,13H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[methyl-(1-phenylpiperidin-3-yl)amino]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 133316013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).