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

C12H18N4O — CID 97003688

IUPAC(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1cc(N[C@H]2CCC(=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)/t10-/m0/s1
InChIKeyNGTKUVSMVYECCI-JTQLQIEISA-N
MW234.30 g/mol
LogP1.13
Rot. Bonds2

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

(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 97003688) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID97003688
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCc1cc(N[C@H]2CCC(=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)/t10-/m0/s1
InChIKeyNGTKUVSMVYECCI-JTQLQIEISA-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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Related Compounds

1-methyl-5-[[6-(methylamino)pyrazin-2-yl]amino]piperidin-2-one
CID 80843926
5-[(6-chloro-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80950848
5-[(6-aminoquinolin-2-yl)amino]-1-methylpiperidin-2-one
CID 64655505
6-methyl-2-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
CID 64668201
5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 134710911
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64668199
1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one
CID 79142513
5-[(5-methoxy-2-methyl-4-pyridinyl)amino]-1-methylpiperidin-2-one
CID 106660550
1-methyl-5-(2-methyl-5-nitroanilino)piperidin-2-one
CID 64667196
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 47406249
1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one
CID 64669796
6-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridine-3-carboxylic acid
CID 81244789

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of (5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 97003688) is (5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for (5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for (5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is Cc1cc(N[C@H]2CCC(=O)N(C)C2)nc(C)n1.
What is the InChIKey of (5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is NGTKUVSMVYECCI-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of (5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
(5S)-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 (5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 97003688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).