2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile

C6H5ClN4OS — CID 18507277

IUPAC2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile
SMILESCS(=O)c1nc(N)nc(Cl)c1C#N
InChIInChI=1S/C6H5ClN4OS/c1-13(12)5-3(2-8)4(7)10-6(9)11-5/h1H3,(H2,9,10,11)
InChIKeyMBEWVFLTIFGWPX-UHFFFAOYSA-N
MW216.65 g/mol
LogP0.32
Rot. Bonds1

About 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile

2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile (PubChem CID 18507277) has the molecular formula C6H5ClN4OS and a molecular weight of 216.65 g/mol. Its IUPAC name is 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile
PubChem CID18507277
Molecular FormulaC6H5ClN4OS
Molecular Weight216.65 g/mol
Exact Mass215.99
IUPAC Name2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile
SMILESCS(=O)c1nc(N)nc(Cl)c1C#N
InChIInChI=1S/C6H5ClN4OS/c1-13(12)5-3(2-8)4(7)10-6(9)11-5/h1H3,(H2,9,10,11)
InChIKeyMBEWVFLTIFGWPX-UHFFFAOYSA-N
XLogP0.32
TPSA92.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile (CID 18507277) is 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile is CS(=O)c1nc(N)nc(Cl)c1C#N.
What is the InChIKey of 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile?
The InChIKey is MBEWVFLTIFGWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4OS/c1-13(12)5-3(2-8)4(7)10-6(9)11-5/h1H3,(H2,9,10,11).
What are the key properties of 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile?
2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile has a molecular weight of 216.65 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-6-methylsulfinylpyrimidine-5-carbonitrile is sourced from PubChem (CID 18507277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).