N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide

C14H23N5O3S — CID 122295284

IUPACN-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide
SMILESCc1cc(N2CCOCC2)nc(NCCNS(=O)(=O)C2CC2)n1
InChIInChI=1S/C14H23N5O3S/c1-11-10-13(19-6-8-22-9-7-19)18-14(17-11)15-4-5-16-23(20,21)12-2-3-12/h10,12,16H,2-9H2,1H3,(H,15,17,18)
InChIKeyNTDBOHBSAUKBQW-UHFFFAOYSA-N
MW341.44 g/mol
LogP0.12
Rot. Bonds7

About N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide

N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide (PubChem CID 122295284) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide
PubChem CID122295284
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC NameN-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide
SMILESCc1cc(N2CCOCC2)nc(NCCNS(=O)(=O)C2CC2)n1
InChIInChI=1S/C14H23N5O3S/c1-11-10-13(19-6-8-22-9-7-19)18-14(17-11)15-4-5-16-23(20,21)12-2-3-12/h10,12,16H,2-9H2,1H3,(H,15,17,18)
InChIKeyNTDBOHBSAUKBQW-UHFFFAOYSA-N
XLogP0.12
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]ethanesulfonamide
CID 121075524
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]butane-1-sulfonamide
CID 121075534
4-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075504
3-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075503
2-methyl-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]propanamide
CID 121075210
4-butoxy-N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 121075509
2-[2-(dimethylsulfamoylamino)ethylamino]-4-methyl-6-pyrrolidin-1-ylpyrimidine
CID 121075493
N-[2-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]ethyl]propane-1-sulfonamide
CID 121075385
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]benzamide
CID 121075218
4-methyl-6-morpholin-4-yl-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112912080
4-methyl-N-(2-morpholin-4-ylethyl)-6-piperidin-1-ylpyrimidin-2-amine
CID 112909978
1-(4-methylphenyl)-N-[2-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]ethyl]methanesulfonamide
CID 122295053

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide?
The IUPAC name of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide (CID 122295284) is N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide?
The canonical SMILES for N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide is Cc1cc(N2CCOCC2)nc(NCCNS(=O)(=O)C2CC2)n1.
What is the InChIKey of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide?
The InChIKey is NTDBOHBSAUKBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-11-10-13(19-6-8-22-9-7-19)18-14(17-11)15-4-5-16-23(20,21)12-2-3-12/h10,12,16H,2-9H2,1H3,(H,15,17,18).
What are the key properties of N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide?
N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide has a molecular weight of 341.44 g/mol, XLogP of 0.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]ethyl]cyclopropanesulfonamide is sourced from PubChem (CID 122295284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).