N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide

C15H19N5O3S — CID 66630757

IUPACN-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc(N3CCOCC3)nc2N)c1
InChIInChI=1S/C15H19N5O3S/c1-24(21,22)19-12-4-2-3-11(9-12)13-10-17-15(18-14(13)16)20-5-7-23-8-6-20/h2-4,9-10,19H,5-8H2,1H3,(H2,16,17,18)
InChIKeyYZAKLNHEVCYQDA-UHFFFAOYSA-N
MW349.42 g/mol
LogP0.93
Rot. Bonds4

About N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide

N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide (PubChem CID 66630757) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide
PubChem CID66630757
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-c2cnc(N3CCOCC3)nc2N)c1
InChIInChI=1S/C15H19N5O3S/c1-24(21,22)19-12-4-2-3-11(9-12)13-10-17-15(18-14(13)16)20-5-7-23-8-6-20/h2-4,9-10,19H,5-8H2,1H3,(H2,16,17,18)
InChIKeyYZAKLNHEVCYQDA-UHFFFAOYSA-N
XLogP0.93
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[4-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 59244894
N-[3-(5-ethoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]methanesulfonamide
CID 53329856
N-[3-[2-(4-morpholin-4-ylanilino)thieno[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 42629191
N-[3-[4-deuterio-5-methyl-2-(4-morpholin-4-ylanilino)pyrrolo[3,2-d]pyrimidin-7-yl]phenyl]methanesulfonamide
CID 175768601
N-[3-[2-morpholin-4-yl-6-(2-pyridin-3-ylethylamino)pyrimidin-4-yl]phenyl]methanesulfonamide
CID 53318702
5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 62900378
6-amino-3-[3-(methanesulfonamido)phenyl]pyridine-2-carboxylic acid
CID 53229646
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
N-[3-[5-(N-morpholin-4-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanesulfonamide
CID 91147491
N-[3-(2,5-dichloropyrimidin-4-yl)phenyl]methanesulfonamide
CID 87944678
3-[6-(2-aminopyrimidin-5-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 68917549
2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
CID 11508758

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide (CID 66630757) is N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-c2cnc(N3CCOCC3)nc2N)c1.
What is the InChIKey of N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide?
The InChIKey is YZAKLNHEVCYQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-24(21,22)19-12-4-2-3-11(9-12)13-10-17-15(18-14(13)16)20-5-7-23-8-6-20/h2-4,9-10,19H,5-8H2,1H3,(H2,16,17,18).
What are the key properties of N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide?
N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide has a molecular weight of 349.42 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 66630757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).