N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide

C11H20N4O2S — CID 55112617

IUPACN-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1ccnc(C)n1)S(C)(=O)=O
InChIInChI=1S/C11H20N4O2S/c1-4-15(18(3,16)17)9-5-7-13-11-6-8-12-10(2)14-11/h6,8H,4-5,7,9H2,1-3H3,(H,12,13,14)
InChIKeySRXOHFDUZIFOGL-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.87
Rot. Bonds7

About N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide

N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide (PubChem CID 55112617) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
PubChem CID55112617
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide
SMILESCCN(CCCNc1ccnc(C)n1)S(C)(=O)=O
InChIInChI=1S/C11H20N4O2S/c1-4-15(18(3,16)17)9-5-7-13-11-6-8-12-10(2)14-11/h6,8H,4-5,7,9H2,1-3H3,(H,12,13,14)
InChIKeySRXOHFDUZIFOGL-UHFFFAOYSA-N
XLogP0.87
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-2-methylpyrimidin-4-amine
CID 62785690
N-[3-[(4-ethoxypyrimidin-2-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 115974608
N-ethyl-N-[3-[(4-methylquinolin-2-yl)amino]propyl]methanesulfonamide
CID 60521104
N-ethyl-N-[3-[(3-methylsulfonyl-2-pyridinyl)amino]propyl]methanesulfonamide
CID 114598708
N-[3-[(2-chloro-5-methylpyrimidin-4-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 114156504
tert-butyl N-[4-[(2-methylpyrimidin-4-yl)amino]butyl]carbamate
CID 143029344
N-[3-[(3-cyano-2-pyridinyl)amino]propyl]-N-ethylmethanesulfonamide
CID 51892007
N-(2-fluoroethyl)-2-methylpyrimidin-4-amine
CID 130478085
N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 106193384
N-(3,3-difluoropropyl)-2-methylpyrimidin-4-amine
CID 130700379
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
3-methyl-4-[(2-methylpyrimidin-4-yl)amino]butan-1-ol
CID 66108604

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide (CID 55112617) is N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide is CCN(CCCNc1ccnc(C)n1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
The InChIKey is SRXOHFDUZIFOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-4-15(18(3,16)17)9-5-7-13-11-6-8-12-10(2)14-11/h6,8H,4-5,7,9H2,1-3H3,(H,12,13,14).
What are the key properties of N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide?
N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[3-[(2-methylpyrimidin-4-yl)amino]propyl]methanesulfonamide is sourced from PubChem (CID 55112617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).