N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide

C12H20N4O3S — CID 71807469

IUPACN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C12H20N4O3S/c1-3-20(17,18)13-9-11-14-10(2)8-12(15-11)16-4-6-19-7-5-16/h8,13H,3-7,9H2,1-2H3
InChIKeyJHPBXTBMVPTGME-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.06
Rot. Bonds5

About N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide (PubChem CID 71807469) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
PubChem CID71807469
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCc1nc(C)cc(N2CCOCC2)n1
InChIInChI=1S/C12H20N4O3S/c1-3-20(17,18)13-9-11-14-10(2)8-12(15-11)16-4-6-19-7-5-16/h8,13H,3-7,9H2,1-2H3
InChIKeyJHPBXTBMVPTGME-UHFFFAOYSA-N
XLogP0.06
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,6-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 697248
4-[4-Methyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]morpholine
CID 647957
N-butyl-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 1880359
2-Amino-4-morpholino-6-methylpyrimidine
CID 3642905
2-(6-Methyl-2-morpholin-4-yl-pyrimidin-4-ylamino)-ethanol
CID 1918227
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074005
6-Methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 13537844
2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 50957598
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807407
N-((4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl)methyl)propane-1-sulfonamide
CID 71807408
N-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)methyl)ethanesulfonamide
CID 71807438
4-(6-Methyl-2-propylpyrimidin-4-yl)morpholine
CID 6461489

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The IUPAC name of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide (CID 71807469) is N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide.
What is the SMILES notation for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The canonical SMILES for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide is CCS(=O)(=O)NCc1nc(C)cc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
The InChIKey is JHPBXTBMVPTGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-3-20(17,18)13-9-11-14-10(2)8-12(15-11)16-4-6-19-7-5-16/h8,13H,3-7,9H2,1-2H3.
What are the key properties of N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide?
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of 0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]ethanesulfonamide is sourced from PubChem (CID 71807469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).