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

C16H22N6O2S — CID 110252905

IUPAC4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cncc(C3CCCN(S(C)(=O)=O)C3)n2)n1
InChIInChI=1S/C16H22N6O2S/c1-11-7-12(2)19-16(18-11)21-15-9-17-8-14(20-15)13-5-4-6-22(10-13)25(3,23)24/h7-9,13H,4-6,10H2,1-3H3,(H,18,19,20,21)
InChIKeyPIQIOEXHYGRNPM-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.77
Rot. Bonds4

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

4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine (PubChem CID 110252905) has the molecular formula C16H22N6O2S and a molecular weight of 362.46 g/mol. Its IUPAC name is 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
PubChem CID110252905
Molecular FormulaC16H22N6O2S
Molecular Weight362.46 g/mol
Exact Mass362.15
IUPAC Name4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
SMILESCc1cc(C)nc(Nc2cncc(C3CCCN(S(C)(=O)=O)C3)n2)n1
InChIInChI=1S/C16H22N6O2S/c1-11-7-12(2)19-16(18-11)21-15-9-17-8-14(20-15)13-5-4-6-22(10-13)25(3,23)24/h7-9,13H,4-6,10H2,1-3H3,(H,18,19,20,21)
InChIKeyPIQIOEXHYGRNPM-UHFFFAOYSA-N
XLogP1.77
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110252898
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
N-[6-(1-cyclopentylpiperidin-4-yl)pyrazin-2-yl]-4,6-dimethylpyrimidin-2-amine
CID 127244699
[(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 95814604
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
(3S)-3-[6-[(4,6-dimethylpyrimidin-2-yl)amino]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95835947
1-[(2R)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95836171
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110093805
2-amino-1-[2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110269783
5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125005344
5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 125012790
2-[(2S)-2-[6-[(4,6-dimethylpyrimidin-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]acetamide
CID 95842898

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine (CID 110252905) is 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine is Cc1cc(C)nc(Nc2cncc(C3CCCN(S(C)(=O)=O)C3)n2)n1.
What is the InChIKey of 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
The InChIKey is PIQIOEXHYGRNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2S/c1-11-7-12(2)19-16(18-11)21-15-9-17-8-14(20-15)13-5-4-6-22(10-13)25(3,23)24/h7-9,13H,4-6,10H2,1-3H3,(H,18,19,20,21).
What are the key properties of 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine?
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine has a molecular weight of 362.46 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 110252905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).