N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide

C8H14N4O4S — CID 136974030

IUPACN-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCOc1c(NCCNS(C)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C8H14N4O4S/c1-16-6-7(10-5-11-8(6)13)9-3-4-12-17(2,14)15/h5,12H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyLZDDQRNUGKCJIO-UHFFFAOYSA-N
MW262.29 g/mol
LogP-1.26
Rot. Bonds6

About N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide

N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide (PubChem CID 136974030) has the molecular formula C8H14N4O4S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide
PubChem CID136974030
Molecular FormulaC8H14N4O4S
Molecular Weight262.29 g/mol
Exact Mass262.07
IUPAC NameN-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide
SMILESCOc1c(NCCNS(C)(=O)=O)nc[nH]c1=O
InChIInChI=1S/C8H14N4O4S/c1-16-6-7(10-5-11-8(6)13)9-3-4-12-17(2,14)15/h5,12H,3-4H2,1-2H3,(H2,9,10,11,13)
InChIKeyLZDDQRNUGKCJIO-UHFFFAOYSA-N
XLogP-1.26
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-1.26
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-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide (CID 136974030) is N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide is COc1c(NCCNS(C)(=O)=O)nc[nH]c1=O.
What is the InChIKey of N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
The InChIKey is LZDDQRNUGKCJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O4S/c1-16-6-7(10-5-11-8(6)13)9-3-4-12-17(2,14)15/h5,12H,3-4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide?
N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide has a molecular weight of 262.29 g/mol, XLogP of -1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]methanesulfonamide is sourced from PubChem (CID 136974030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).