N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide

C14H19N5O2S — CID 50982961

IUPACN,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1cc(NCCS(=O)(=O)N(C)C)nc(-c2cccnc2)n1
InChIInChI=1S/C14H19N5O2S/c1-11-9-13(16-7-8-22(20,21)19(2)3)18-14(17-11)12-5-4-6-15-10-12/h4-6,9-10H,7-8H2,1-3H3,(H,16,17,18)
InChIKeyRTNDIGCYBTWLEK-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.15
Rot. Bonds6

About N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide

N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide (PubChem CID 50982961) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide
PubChem CID50982961
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC NameN,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide
SMILESCc1cc(NCCS(=O)(=O)N(C)C)nc(-c2cccnc2)n1
InChIInChI=1S/C14H19N5O2S/c1-11-9-13(16-7-8-22(20,21)19(2)3)18-14(17-11)12-5-4-6-15-10-12/h4-6,9-10H,7-8H2,1-3H3,(H,16,17,18)
InChIKeyRTNDIGCYBTWLEK-UHFFFAOYSA-N
XLogP1.15
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-3-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]propanamide
CID 133279464
4,6-dimethyl-2-pyridin-3-ylpyrimidine
CID 55218547
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 133279755
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50952376
6-methyl-2-pyridin-3-yl-N-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]pyrimidin-4-amine
CID 133302283
6-methyl-2-(3-nitrophenyl)-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 47053519
N-(2-imidazo[1,2-a]pyridin-3-ylethyl)-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 50970220
3-[(2,6-dipyridin-3-ylpyrimidin-4-yl)amino]propan-1-ol
CID 3479964
2-[(4-cyano-6-methyl-2-pyridinyl)amino]-N,N-dimethylethanesulfonamide
CID 106338610
6-ethyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 62190215
(4S)-1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 95138091
1-ethyl-4-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 50976714

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide?
The IUPAC name of N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide (CID 50982961) is N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide.
What is the SMILES notation for N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide?
The canonical SMILES for N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide is Cc1cc(NCCS(=O)(=O)N(C)C)nc(-c2cccnc2)n1.
What is the InChIKey of N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide?
The InChIKey is RTNDIGCYBTWLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-11-9-13(16-7-8-22(20,21)19(2)3)18-14(17-11)12-5-4-6-15-10-12/h4-6,9-10H,7-8H2,1-3H3,(H,16,17,18).
What are the key properties of N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide?
N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide has a molecular weight of 321.41 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanesulfonamide is sourced from PubChem (CID 50982961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).