5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one

C10H16ClN3O3S — CID 106728645

IUPAC5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one
SMILESCC(C)(C)S(=O)(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O3S/c1-10(2,3)18(16,17)5-4-14-6-13-8(11)7(12)9(14)15/h6H,4-5,12H2,1-3H3
InChIKeyAWXBEICSBDSXRD-UHFFFAOYSA-N
MW293.78 g/mol
LogP0.69
Rot. Bonds3

About 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one

5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one (PubChem CID 106728645) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one.

Molecular Properties

Compound Name5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one
PubChem CID106728645
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one
SMILESCC(C)(C)S(=O)(=O)CCn1cnc(Cl)c(N)c1=O
InChIInChI=1S/C10H16ClN3O3S/c1-10(2,3)18(16,17)5-4-14-6-13-8(11)7(12)9(14)15/h6H,4-5,12H2,1-3H3
InChIKeyAWXBEICSBDSXRD-UHFFFAOYSA-N
XLogP0.69
TPSA95.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-6-chloro-3-(2-propan-2-ylsulfonylethyl)pyrimidin-4-one
CID 106728643
5-Amino-6-chloro-3-(2-propylsulfonylethyl)pyrimidin-4-one
CID 106728644
5-Amino-6-chloro-3-(3-methylsulfonylpropyl)pyrimidin-4-one
CID 114582458
5-Amino-6-chloro-3-(1,1-dioxothiolan-3-yl)pyrimidin-4-one
CID 114582466
5-Amino-6-chloro-3-(3-methylsulfonylcyclohexyl)pyrimidin-4-one
CID 114582517
5-Amino-6-chloro-3-(2-methylsulfonylethyl)pyrimidin-4-one
CID 114582593
5-Amino-6-chloro-3-(3-ethylsulfonylpropyl)pyrimidin-4-one
CID 114582662
5-Amino-6-chloro-3-(2-ethylsulfonylethyl)pyrimidin-4-one
CID 114582713
5-Amino-6-chloro-3-(3-ethylsulfanylpropyl)pyrimidin-4-one
CID 114582735
5-Amino-6-chloro-3-(2-ethylsulfanylethyl)pyrimidin-4-one
CID 114582807
5-Amino-6-chloro-3-(2-methylsulfanylethyl)pyrimidin-4-one
CID 114582840

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one?
The IUPAC name of 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one (CID 106728645) is 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one.
What is the SMILES notation for 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one?
The canonical SMILES for 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one is CC(C)(C)S(=O)(=O)CCn1cnc(Cl)c(N)c1=O.
What is the InChIKey of 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one?
The InChIKey is AWXBEICSBDSXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-10(2,3)18(16,17)5-4-14-6-13-8(11)7(12)9(14)15/h6H,4-5,12H2,1-3H3.
What are the key properties of 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one?
5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one has a molecular weight of 293.78 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(2-tert-butylsulfonylethyl)-6-chloropyrimidin-4-one is sourced from PubChem (CID 106728645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).