N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide

C15H21N5O2S — CID 56874148

IUPACN-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide
SMILESCc1ccc(-c2ccnc(NCCN(C)S(C)(=O)=O)n2)c(C)n1
InChIInChI=1S/C15H21N5O2S/c1-11-5-6-13(12(2)18-11)14-7-8-16-15(19-14)17-9-10-20(3)23(4,21)22/h5-8H,9-10H2,1-4H3,(H,16,17,19)
InChIKeyDECUTBSPRUTFPG-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.46
Rot. Bonds6

About N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide

N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide (PubChem CID 56874148) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide
PubChem CID56874148
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC NameN-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide
SMILESCc1ccc(-c2ccnc(NCCN(C)S(C)(=O)=O)n2)c(C)n1
InChIInChI=1S/C15H21N5O2S/c1-11-5-6-13(12(2)18-11)14-7-8-16-15(19-14)17-9-10-20(3)23(4,21)22/h5-8H,9-10H2,1-4H3,(H,16,17,19)
InChIKeyDECUTBSPRUTFPG-UHFFFAOYSA-N
XLogP1.46
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide (CID 56874148) is N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide is Cc1ccc(-c2ccnc(NCCN(C)S(C)(=O)=O)n2)c(C)n1.
What is the InChIKey of N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
The InChIKey is DECUTBSPRUTFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-11-5-6-13(12(2)18-11)14-7-8-16-15(19-14)17-9-10-20(3)23(4,21)22/h5-8H,9-10H2,1-4H3,(H,16,17,19).
What are the key properties of N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide?
N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide has a molecular weight of 335.43 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2,6-dimethyl-3-pyridinyl)pyrimidin-2-yl]amino]ethyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 56874148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).