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

C7H13N5O3S — CID 136757538

IUPAC2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H13N5O3S/c1-9-16(14,15)3-2-10-6-5(8)7(13)12-4-11-6/h4,9H,2-3,8H2,1H3,(H2,10,11,12,13)
InChIKeyDKKHRXKQYWMOJM-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.69
Rot. Bonds5

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

2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 136757538) has the molecular formula C7H13N5O3S and a molecular weight of 247.28 g/mol. Its IUPAC name is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID136757538
Molecular FormulaC7H13N5O3S
Molecular Weight247.28 g/mol
Exact Mass247.07
IUPAC Name2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C7H13N5O3S/c1-9-16(14,15)3-2-10-6-5(8)7(13)12-4-11-6/h4,9H,2-3,8H2,1H3,(H2,10,11,12,13)
InChIKeyDKKHRXKQYWMOJM-UHFFFAOYSA-N
XLogP-1.69
TPSA129.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 136757538) is 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is DKKHRXKQYWMOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O3S/c1-9-16(14,15)3-2-10-6-5(8)7(13)12-4-11-6/h4,9H,2-3,8H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 247.28 g/mol, XLogP of -1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 136757538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).