6-chloro-5-methylsulfinylpyrimidine-2,4-diamine

C5H7ClN4OS — CID 12790359

IUPAC6-chloro-5-methylsulfinylpyrimidine-2,4-diamine
SMILESCS(=O)c1c(N)nc(N)nc1Cl
InChIInChI=1S/C5H7ClN4OS/c1-12(11)2-3(6)9-5(8)10-4(2)7/h1H3,(H4,7,8,9,10)
InChIKeyXLZXXUUIMKHILG-UHFFFAOYSA-N
MW206.66 g/mol
LogP0.03
Rot. Bonds1

About 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine

6-chloro-5-methylsulfinylpyrimidine-2,4-diamine (PubChem CID 12790359) has the molecular formula C5H7ClN4OS and a molecular weight of 206.66 g/mol. Its IUPAC name is 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-5-methylsulfinylpyrimidine-2,4-diamine
PubChem CID12790359
Molecular FormulaC5H7ClN4OS
Molecular Weight206.66 g/mol
Exact Mass206.00
IUPAC Name6-chloro-5-methylsulfinylpyrimidine-2,4-diamine
SMILESCS(=O)c1c(N)nc(N)nc1Cl
InChIInChI=1S/C5H7ClN4OS/c1-12(11)2-3(6)9-5(8)10-4(2)7/h1H3,(H4,7,8,9,10)
InChIKeyXLZXXUUIMKHILG-UHFFFAOYSA-N
XLogP0.03
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.66
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine (CID 12790359) is 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine is CS(=O)c1c(N)nc(N)nc1Cl.
What is the InChIKey of 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine?
The InChIKey is XLZXXUUIMKHILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4OS/c1-12(11)2-3(6)9-5(8)10-4(2)7/h1H3,(H4,7,8,9,10).
What are the key properties of 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine?
6-chloro-5-methylsulfinylpyrimidine-2,4-diamine has a molecular weight of 206.66 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methylsulfinylpyrimidine-2,4-diamine is sourced from PubChem (CID 12790359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).