3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione

C14H21N5O2 — CID 80938259

IUPAC3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCCCNc1cc(NC2CCC(=O)NC2=O)nc(CC)n1
InChIInChI=1S/C14H21N5O2/c1-3-7-15-11-8-12(18-10(4-2)17-11)16-9-5-6-13(20)19-14(9)21/h8-9H,3-7H2,1-2H3,(H,19,20,21)(H2,15,16,17,18)
InChIKeySBMYSWYPECEFQX-UHFFFAOYSA-N
MW291.36 g/mol
LogP1.08
Rot. Bonds6

About 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione

3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione (PubChem CID 80938259) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
PubChem CID80938259
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC Name3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCCCNc1cc(NC2CCC(=O)NC2=O)nc(CC)n1
InChIInChI=1S/C14H21N5O2/c1-3-7-15-11-8-12(18-10(4-2)17-11)16-9-5-6-13(20)19-14(9)21/h8-9H,3-7H2,1-2H3,(H,19,20,21)(H2,15,16,17,18)
InChIKeySBMYSWYPECEFQX-UHFFFAOYSA-N
XLogP1.08
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[[2-ethyl-6-(ethylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80941192
3-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80855840
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80938018
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80941106
4-N-(4,4-dimethylcyclohexyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80940937
4-N-cycloheptyl-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933862
4-N-(3,3-dimethylcyclopentyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 114542211
5-[[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one
CID 80942891
2-ethyl-4-N-[(4-methylcyclohexyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80940788
3-[4-(ethylamino)anilino]piperidine-2,6-dione
CID 166729742
4-N-(cyclopentylmethyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80933194
4-[[6-(propylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 106198352

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione (CID 80938259) is 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione is CCCNc1cc(NC2CCC(=O)NC2=O)nc(CC)n1.
What is the InChIKey of 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
The InChIKey is SBMYSWYPECEFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-3-7-15-11-8-12(18-10(4-2)17-11)16-9-5-6-13(20)19-14(9)21/h8-9H,3-7H2,1-2H3,(H,19,20,21)(H2,15,16,17,18).
What are the key properties of 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione?
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione has a molecular weight of 291.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 80938259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).