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

C12H20N4O3S — CID 91781462

IUPACN-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCc1nc(NCCNS(C)(=O)=O)cc(C2CC(O)C2)n1
InChIInChI=1S/C12H20N4O3S/c1-8-15-11(9-5-10(17)6-9)7-12(16-8)13-3-4-14-20(2,18)19/h7,9-10,14,17H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyHBQNPXAZRIYDHQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP-0.02
Rot. Bonds6

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

N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide (PubChem CID 91781462) has the molecular formula C12H20N4O3S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
PubChem CID91781462
Molecular FormulaC12H20N4O3S
Molecular Weight300.38 g/mol
Exact Mass300.13
IUPAC NameN-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide
SMILESCc1nc(NCCNS(C)(=O)=O)cc(C2CC(O)C2)n1
InChIInChI=1S/C12H20N4O3S/c1-8-15-11(9-5-10(17)6-9)7-12(16-8)13-3-4-14-20(2,18)19/h7,9-10,14,17H,3-6H2,1-2H3,(H,13,15,16)
InChIKeyHBQNPXAZRIYDHQ-UHFFFAOYSA-N
XLogP-0.02
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide (CID 91781462) is N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide is Cc1nc(NCCNS(C)(=O)=O)cc(C2CC(O)C2)n1.
What is the InChIKey of N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
The InChIKey is HBQNPXAZRIYDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3S/c1-8-15-11(9-5-10(17)6-9)7-12(16-8)13-3-4-14-20(2,18)19/h7,9-10,14,17H,3-6H2,1-2H3,(H,13,15,16).
What are the key properties of N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide?
N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide has a molecular weight of 300.38 g/mol, XLogP of -0.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3-hydroxycyclobutyl)-2-methylpyrimidin-4-yl]amino]ethyl]methanesulfonamide is sourced from PubChem (CID 91781462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).