3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

C12H17N5O2 — CID 80856243

IUPAC3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCc1nc(N)c(C)c(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H17N5O2/c1-6-10(13)14-7(2)15-11(6)16-8-4-5-9(18)17(3)12(8)19/h8H,4-5H2,1-3H3,(H3,13,14,15,16)
InChIKeyVNRJGYVQXDOIST-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.23
Rot. Bonds2

About 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 80856243) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID80856243
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCc1nc(N)c(C)c(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C12H17N5O2/c1-6-10(13)14-7(2)15-11(6)16-8-4-5-9(18)17(3)12(8)19/h8H,4-5H2,1-3H3,(H3,13,14,15,16)
InChIKeyVNRJGYVQXDOIST-UHFFFAOYSA-N
XLogP0.23
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924688
1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80856468
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 66326323
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80921244
2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80771822
1-methyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]piperidine-2,6-dione
CID 114598952
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80959212
3-[(5-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924824
2,5-dimethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80826930
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione
CID 106772364
4-amino-2-(dimethylamino)-N-(1-methyl-2,6-dioxopiperidin-3-yl)-1,3-thiazole-5-carboxamide
CID 116671038
4-methyl-2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 80570685

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 80856243) is 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is Cc1nc(N)c(C)c(NC2CCC(=O)N(C)C2=O)n1.
What is the InChIKey of 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is VNRJGYVQXDOIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-6-10(13)14-7(2)15-11(6)16-8-4-5-9(18)17(3)12(8)19/h8H,4-5H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 263.30 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 80856243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).