5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

C12H18N4O — CID 64669791

IUPAC5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1cc(NC2CCC(=O)N(C)C2)nc(C)n1
InChIInChI=1S/C12H18N4O/c1-8-6-11(14-9(2)13-8)15-10-4-5-12(17)16(3)7-10/h6,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyNGTKUVSMVYECCI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds2

About 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one

5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 64669791) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID64669791
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1cc(NC2CCC(=O)N(C)C2)nc(C)n1
InChIInChI=1S/C12H18N4O/c1-8-6-11(14-9(2)13-8)15-10-4-5-12(17)16(3)7-10/h6,10H,4-5,7H2,1-3H3,(H,13,14,15)
InChIKeyNGTKUVSMVYECCI-UHFFFAOYSA-N
XLogP1.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 64669791) is 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is Cc1cc(NC2CCC(=O)N(C)C2)nc(C)n1.
What is the InChIKey of 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is NGTKUVSMVYECCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-6-11(14-9(2)13-8)15-10-4-5-12(17)16(3)7-10/h6,10H,4-5,7H2,1-3H3,(H,13,14,15).
What are the key properties of 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64669791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).