2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine

C15H25N5O2S — CID 110091082

IUPAC2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(N)cc(C2CCCN2C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H25N5O2S/c1-11-17-13(10-15(16)18-11)14-4-3-7-20(14)12-5-8-19(9-6-12)23(2,21)22/h10,12,14H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyQKSREEFUDGVDEN-UHFFFAOYSA-N
MW339.47 g/mol
LogP0.93
Rot. Bonds3

About 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine

2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine (PubChem CID 110091082) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine
PubChem CID110091082
Molecular FormulaC15H25N5O2S
Molecular Weight339.47 g/mol
Exact Mass339.17
IUPAC Name2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine
SMILESCc1nc(N)cc(C2CCCN2C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C15H25N5O2S/c1-11-17-13(10-15(16)18-11)14-4-3-7-20(14)12-5-8-19(9-6-12)23(2,21)22/h10,12,14H,3-9H2,1-2H3,(H2,16,17,18)
InChIKeyQKSREEFUDGVDEN-UHFFFAOYSA-N
XLogP0.93
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine (CID 110091082) is 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine is Cc1nc(N)cc(C2CCCN2C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine?
The InChIKey is QKSREEFUDGVDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-11-17-13(10-15(16)18-11)14-4-3-7-20(14)12-5-8-19(9-6-12)23(2,21)22/h10,12,14H,3-9H2,1-2H3,(H2,16,17,18).
What are the key properties of 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine?
2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine has a molecular weight of 339.47 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 110091082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).