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

C7H11ClN4O3S — CID 136757535

IUPAC2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H11ClN4O3S/c1-9-16(14,15)3-2-10-6-5(8)7(13)12-4-11-6/h4,9H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyJDSPLAZACNFWQU-UHFFFAOYSA-N
MW266.71 g/mol
LogP-0.62
Rot. Bonds5

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

2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide (PubChem CID 136757535) has the molecular formula C7H11ClN4O3S and a molecular weight of 266.71 g/mol. Its IUPAC name is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
PubChem CID136757535
Molecular FormulaC7H11ClN4O3S
Molecular Weight266.71 g/mol
Exact Mass266.02
IUPAC Name2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C7H11ClN4O3S/c1-9-16(14,15)3-2-10-6-5(8)7(13)12-4-11-6/h4,9H,2-3H2,1H3,(H2,10,11,12,13)
InChIKeyJDSPLAZACNFWQU-UHFFFAOYSA-N
XLogP-0.62
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-(2-methylsulfonylethylsulfanyl)-1H-pyrimidin-6-one
CID 114791250
5-chloro-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750485
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 136757537
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 136757538
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide
CID 136757539
N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136757541
N-ethyl-2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136757563
N-ethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136757566
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 136784801
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 136784805
N,N-dimethyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136784806
2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]ethanesulfonamide
CID 136956105

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The IUPAC name of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide (CID 136757535) is 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The canonical SMILES for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide is CNS(=O)(=O)CCNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
The InChIKey is JDSPLAZACNFWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O3S/c1-9-16(14,15)3-2-10-6-5(8)7(13)12-4-11-6/h4,9H,2-3H2,1H3,(H2,10,11,12,13).
What are the key properties of 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide?
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide has a molecular weight of 266.71 g/mol, XLogP of -0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-methylethanesulfonamide is sourced from PubChem (CID 136757535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).