N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide

C11H19N5O3S — CID 91786282

IUPACN-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C11H19N5O3S/c1-20(18,19)14-3-2-13-10-6-9(15-11(12)16-10)7-4-8(17)5-7/h6-8,14,17H,2-5H2,1H3,(H3,12,13,15,16)
InChIKeySPGXDRUEJGPDET-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.74
Rot. Bonds6

About N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide

N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 91786282) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID91786282
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC NameN-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNc1cc(C2CC(O)C2)nc(N)n1
InChIInChI=1S/C11H19N5O3S/c1-20(18,19)14-3-2-13-10-6-9(15-11(12)16-10)7-4-8(17)5-7/h6-8,14,17H,2-5H2,1H3,(H3,12,13,15,16)
InChIKeySPGXDRUEJGPDET-UHFFFAOYSA-N
XLogP-0.74
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-amino-6-(2-hydroxyethylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91761176
3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91787116
4-[[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 91760625
3-[2-amino-6-(3-phenylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91788557
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-2-chlorobenzamide
CID 91780839
3-[2-amino-6-[3-(4-methoxyphenyl)propylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91787964
3-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]-1,3-oxazinan-2-one
CID 91769331
N-[2-[(6-amino-2-cyclopropylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 80967424
3-[2-amino-6-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91781311
3-[2-amino-6-(3-indol-1-ylpropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91793294
3-[2-amino-6-[2-(4-phenyl-1,3-thiazol-2-yl)ethylamino]pyrimidin-4-yl]cyclobutan-1-ol
CID 91784009
4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide (CID 91786282) is N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNc1cc(C2CC(O)C2)nc(N)n1.
What is the InChIKey of N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is SPGXDRUEJGPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-20(18,19)14-3-2-13-10-6-9(15-11(12)16-10)7-4-8(17)5-7/h6-8,14,17H,2-5H2,1H3,(H3,12,13,15,16).
What are the key properties of N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 301.37 g/mol, XLogP of -0.74, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-amino-6-(3-hydroxycyclobutyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 91786282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).