N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline

C19H23N5O3S — CID 78795409

IUPACN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline
SMILESCc1cc(C)n2cc(CNc3cccc(S(=O)(=O)N4CCOCC4)c3)nc2n1
InChIInChI=1S/C19H23N5O3S/c1-14-10-15(2)24-13-17(22-19(24)21-14)12-20-16-4-3-5-18(11-16)28(25,26)23-6-8-27-9-7-23/h3-5,10-11,13,20H,6-9,12H2,1-2H3
InChIKeySCVYXNHMWYBBDE-UHFFFAOYSA-N
MW401.49 g/mol
LogP1.98
Rot. Bonds5

About N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline

N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline (PubChem CID 78795409) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound NameN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline
PubChem CID78795409
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline
SMILESCc1cc(C)n2cc(CNc3cccc(S(=O)(=O)N4CCOCC4)c3)nc2n1
InChIInChI=1S/C19H23N5O3S/c1-14-10-15(2)24-13-17(22-19(24)21-14)12-20-16-4-3-5-18(11-16)28(25,26)23-6-8-27-9-7-23/h3-5,10-11,13,20H,6-9,12H2,1-2H3
InChIKeySCVYXNHMWYBBDE-UHFFFAOYSA-N
XLogP1.98
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-morpholin-4-ylsulfonyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 86919559
N-(3-methylphenyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 7409947
3-morpholin-4-ylsulfonyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline
CID 86919018
N-(3-morpholin-4-ylsulfonylphenyl)benzenesulfonamide
CID 6469836
1,3-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-sulfonamide
CID 22203328
1-(3-morpholin-4-ylsulfonylphenyl)-3-(2-phenylpropan-2-yl)urea
CID 47081837
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-morpholin-4-ylsulfonylbenzamide
CID 2331780
1-methyl-3-(3-morpholin-4-ylsulfonylphenyl)thiourea
CID 19680404
3,5-dimethyl-N-(3-morpholin-4-ylsulfonylphenyl)benzamide
CID 4799420
1-morpholin-4-yl-2-(3-pyrrolidin-1-ylsulfonylanilino)ethanone
CID 4009166
4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]benzamide
CID 5011436
3-(azepan-1-ylsulfonyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 31984010

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline?
The IUPAC name of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline (CID 78795409) is N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline?
The canonical SMILES for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline is Cc1cc(C)n2cc(CNc3cccc(S(=O)(=O)N4CCOCC4)c3)nc2n1.
What is the InChIKey of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline?
The InChIKey is SCVYXNHMWYBBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-14-10-15(2)24-13-17(22-19(24)21-14)12-20-16-4-3-5-18(11-16)28(25,26)23-6-8-27-9-7-23/h3-5,10-11,13,20H,6-9,12H2,1-2H3.
What are the key properties of N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline?
N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline has a molecular weight of 401.49 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-3-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 78795409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).