5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine

C8H13ClN4OS — CID 106812041

IUPAC5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
SMILESCCS(=O)CCNc1ncnc(N)c1Cl
InChIInChI=1S/C8H13ClN4OS/c1-2-15(14)4-3-11-8-6(9)7(10)12-5-13-8/h5H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyBGHNQFJSOGZUPI-UHFFFAOYSA-N
MW248.74 g/mol
LogP0.89
Rot. Bonds5

About 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine

5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine (PubChem CID 106812041) has the molecular formula C8H13ClN4OS and a molecular weight of 248.74 g/mol. Its IUPAC name is 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
PubChem CID106812041
Molecular FormulaC8H13ClN4OS
Molecular Weight248.74 g/mol
Exact Mass248.05
IUPAC Name5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine
SMILESCCS(=O)CCNc1ncnc(N)c1Cl
InChIInChI=1S/C8H13ClN4OS/c1-2-15(14)4-3-11-8-6(9)7(10)12-5-13-8/h5H,2-4H2,1H3,(H3,10,11,12,13)
InChIKeyBGHNQFJSOGZUPI-UHFFFAOYSA-N
XLogP0.89
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.74
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 106811696
4-N-(2-ethylsulfinylethyl)quinazoline-4,7-diamine
CID 113494450
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 114176047
5-chloro-4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
CID 106811895
5-chloro-4-N-[2-(dimethylamino)propyl]pyrimidine-4,6-diamine
CID 106811925
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]propan-2-ol
CID 130619296
5-chloro-4-N-[2-(4-methylcyclohexyl)ethyl]pyrimidine-4,6-diamine
CID 114049775
5-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,6-diamine
CID 114129038
5-chloro-4-N-(2-cyclobutylethyl)pyrimidine-4,6-diamine
CID 106812243
5-chloro-4-N-[(1-methylcyclopropyl)methyl]pyrimidine-4,6-diamine
CID 106812191
5-chloro-4-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 122148804
5-chloro-4-N-[2-(1-methylpiperidin-4-yl)ethyl]pyrimidine-4,6-diamine
CID 114049894

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine (CID 106812041) is 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine is CCS(=O)CCNc1ncnc(N)c1Cl.
What is the InChIKey of 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine?
The InChIKey is BGHNQFJSOGZUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4OS/c1-2-15(14)4-3-11-8-6(9)7(10)12-5-13-8/h5H,2-4H2,1H3,(H3,10,11,12,13).
What are the key properties of 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine?
5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine has a molecular weight of 248.74 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-N-(2-ethylsulfinylethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106812041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).