4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide

C17H23N5O3S — CID 91760625

IUPAC4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNc2cc(C3CC(O)C3)nc(N)n2)cc1
InChIInChI=1S/C17H23N5O3S/c1-22(2)26(24,25)14-5-3-11(4-6-14)10-19-16-9-15(20-17(18)21-16)12-7-13(23)8-12/h3-6,9,12-13,23H,7-8,10H2,1-2H3,(H3,18,19,20,21)
InChIKeyWWYWOCNNHIRHOS-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.16
Rot. Bonds6

About 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide

4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide (PubChem CID 91760625) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
PubChem CID91760625
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CNc2cc(C3CC(O)C3)nc(N)n2)cc1
InChIInChI=1S/C17H23N5O3S/c1-22(2)26(24,25)14-5-3-11(4-6-14)10-19-16-9-15(20-17(18)21-16)12-7-13(23)8-12/h3-6,9,12-13,23H,7-8,10H2,1-2H3,(H3,18,19,20,21)
InChIKeyWWYWOCNNHIRHOS-UHFFFAOYSA-N
XLogP1.16
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 91786282
4-[[[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 126449866
4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 119072706
3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91787964
3-[2-amino-6-[(2,3-dimethoxyphenyl)methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91785701
3-[2-amino-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91777677
6-(3-aminocyclobutyl)-4-N-[(4-fluoro-3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 91784508
3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91787116
N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 133317467
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91793294
N,N-dimethyl-4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]benzenesulfonamide
CID 110917546
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide (CID 91760625) is 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide is CN(C)S(=O)(=O)c1ccc(CNc2cc(C3CC(O)C3)nc(N)n2)cc1.
What is the InChIKey of 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
The InChIKey is WWYWOCNNHIRHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-22(2)26(24,25)14-5-3-11(4-6-14)10-19-16-9-15(20-17(18)21-16)12-7-13(23)8-12/h3-6,9,12-13,23H,7-8,10H2,1-2H3,(H3,18,19,20,21).
What are the key properties of 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide?
4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide has a molecular weight of 377.47 g/mol, XLogP of 1.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 91760625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).