2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine

C12H20N4O2S — CID 47406249

IUPAC2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CCCN(S(C)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C12H20N4O2S/c1-9-7-12(14-10(2)13-9)15-11-5-4-6-16(8-11)19(3,17)18/h7,11H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyVVAAGHDCYSQZGQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.93
Rot. Bonds3

About 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine

2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine (PubChem CID 47406249) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
PubChem CID47406249
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
SMILESCc1cc(NC2CCCN(S(C)(=O)=O)C2)nc(C)n1
InChIInChI=1S/C12H20N4O2S/c1-9-7-12(14-10(2)13-9)15-11-5-4-6-16(8-11)19(3,17)18/h7,11H,4-6,8H2,1-3H3,(H,13,14,15)
InChIKeyVVAAGHDCYSQZGQ-UHFFFAOYSA-N
XLogP0.93
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(1-methylsulfonylpiperidin-3-yl)-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133274248
3-methyl-N-(1-methylsulfonylpiperidin-3-yl)quinoxalin-2-amine
CID 47982906
N-(1-methylsulfonylpiperidin-3-yl)-5-nitropyridin-2-amine
CID 47077189
N-cyclopentyl-6-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110257261
N-cyclopropyl-2-[(1-methylsulfonylpiperidin-3-yl)amino]quinoline-4-carboxamide
CID 133274243
(3S)-1-(4,6-dimethylpyrimidin-2-yl)sulfonyl-N-methylpiperidin-3-amine
CID 97164781
(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 97003688
1-methylsulfonyl-N-(4-nitrophenyl)piperidin-3-amine
CID 47406229
4-N-(1-methylsulfonylpiperidin-3-yl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 154801658
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
2-N,6-dimethyl-4-N-(1-methylpiperidin-3-yl)pyrimidine-2,4-diamine
CID 80797834
(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-methylsulfonylpiperidine-3-carboxamide
CID 39854859

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine?
The IUPAC name of 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine (CID 47406249) is 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine is Cc1cc(NC2CCCN(S(C)(=O)=O)C2)nc(C)n1.
What is the InChIKey of 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine?
The InChIKey is VVAAGHDCYSQZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-9-7-12(14-10(2)13-9)15-11-5-4-6-16(8-11)19(3,17)18/h7,11H,4-6,8H2,1-3H3,(H,13,14,15).
What are the key properties of 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine?
2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine has a molecular weight of 284.38 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 47406249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).