N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide

C8H14N4O2S — CID 62760578

IUPACN-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccncn1
InChIInChI=1S/C8H14N4O2S/c1-15(13,14)12-5-4-9-6-8-2-3-10-7-11-8/h2-3,7,9,12H,4-6H2,1H3
InChIKeyWODLLYWIEGEYGF-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.88
Rot. Bonds6

About N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide

N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide (PubChem CID 62760578) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
PubChem CID62760578
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC NameN-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1ccncn1
InChIInChI=1S/C8H14N4O2S/c1-15(13,14)12-5-4-9-6-8-2-3-10-7-11-8/h2-3,7,9,12H,4-6H2,1H3
InChIKeyWODLLYWIEGEYGF-UHFFFAOYSA-N
XLogP-0.88
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-2-pyrimidinemethanamine
CID 18727763
(2-Methylpyrimidin-4-yl)methanamine
CID 25323795
Pyrimidin-4-ylmethanamine
CID 12933348
2-(1-Pyrrolidinyl)-4-pyrimidinemethanamine
CID 53567848
2-Amino-4-pyrimidinemethanamine
CID 16227936
4-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 18364978
1-(Pyrimidin-4-yl)methanamine--hydrogen chloride (1/1)
CID 42614178
(2-Ethylpyrimidin-4-yl)methanamine
CID 45080066
(2-Methoxypyrimidin-4-yl)methanamine
CID 55262952
Methyl[(pyrimidin-4-yl)methyl]amine dihydrochloride
CID 75485360
4-Methylpyrimidine-2-sulfonamide
CID 22114194
4-[[(2E)-2-(nitromethylidene)imidazolidin-1-yl]methyl]pyrimidine
CID 13910896

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide (CID 62760578) is N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1ccncn1.
What is the InChIKey of N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide?
The InChIKey is WODLLYWIEGEYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-15(13,14)12-5-4-9-6-8-2-3-10-7-11-8/h2-3,7,9,12H,4-6H2,1H3.
What are the key properties of N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide?
N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide has a molecular weight of 230.29 g/mol, XLogP of -0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyrimidin-4-ylmethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 62760578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).