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

C5H7ClN4OS — CID 88712685

IUPAC4-chloro-6-methylsulfinylpyrimidine-2,5-diamine
SMILESCS(=O)c1nc(N)nc(Cl)c1N
InChIInChI=1S/C5H7ClN4OS/c1-12(11)4-2(7)3(6)9-5(8)10-4/h7H2,1H3,(H2,8,9,10)
InChIKeyAIHINRAFHMEPMA-UHFFFAOYSA-N
MW206.66 g/mol
LogP0.03
Rot. Bonds1

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

4-chloro-6-methylsulfinylpyrimidine-2,5-diamine (PubChem CID 88712685) has the molecular formula C5H7ClN4OS and a molecular weight of 206.66 g/mol. Its IUPAC name is 4-chloro-6-methylsulfinylpyrimidine-2,5-diamine.

Molecular Properties

Compound Name4-chloro-6-methylsulfinylpyrimidine-2,5-diamine
PubChem CID88712685
Molecular FormulaC5H7ClN4OS
Molecular Weight206.66 g/mol
Exact Mass206.00
IUPAC Name4-chloro-6-methylsulfinylpyrimidine-2,5-diamine
SMILESCS(=O)c1nc(N)nc(Cl)c1N
InChIInChI=1S/C5H7ClN4OS/c1-12(11)4-2(7)3(6)9-5(8)10-4/h7H2,1H3,(H2,8,9,10)
InChIKeyAIHINRAFHMEPMA-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 4-chloro-6-methylsulfinylpyrimidine-2,5-diamine?
The IUPAC name of 4-chloro-6-methylsulfinylpyrimidine-2,5-diamine (CID 88712685) is 4-chloro-6-methylsulfinylpyrimidine-2,5-diamine.
What is the SMILES notation for 4-chloro-6-methylsulfinylpyrimidine-2,5-diamine?
The canonical SMILES for 4-chloro-6-methylsulfinylpyrimidine-2,5-diamine is CS(=O)c1nc(N)nc(Cl)c1N.
What is the InChIKey of 4-chloro-6-methylsulfinylpyrimidine-2,5-diamine?
The InChIKey is AIHINRAFHMEPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4OS/c1-12(11)4-2(7)3(6)9-5(8)10-4/h7H2,1H3,(H2,8,9,10).
What are the key properties of 4-chloro-6-methylsulfinylpyrimidine-2,5-diamine?
4-chloro-6-methylsulfinylpyrimidine-2,5-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 4-chloro-6-methylsulfinylpyrimidine-2,5-diamine is sourced from PubChem (CID 88712685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).