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

C5H7ClN4S — CID 70573638

IUPAC5-chloro-6-methylsulfanylpyrimidine-2,4-diamine
SMILESCSc1nc(N)nc(N)c1Cl
InChIInChI=1S/C5H7ClN4S/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10)
InChIKeyFJFLRPAGWNDQOF-UHFFFAOYSA-N
MW190.66 g/mol
LogP1.02
Rot. Bonds1

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

5-chloro-6-methylsulfanylpyrimidine-2,4-diamine (PubChem CID 70573638) has the molecular formula C5H7ClN4S and a molecular weight of 190.66 g/mol. Its IUPAC name is 5-chloro-6-methylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-6-methylsulfanylpyrimidine-2,4-diamine
PubChem CID70573638
Molecular FormulaC5H7ClN4S
Molecular Weight190.66 g/mol
Exact Mass190.01
IUPAC Name5-chloro-6-methylsulfanylpyrimidine-2,4-diamine
SMILESCSc1nc(N)nc(N)c1Cl
InChIInChI=1S/C5H7ClN4S/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10)
InChIKeyFJFLRPAGWNDQOF-UHFFFAOYSA-N
XLogP1.02
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.66
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-6-methylsulfanylpyrimidine-2,4-diamine (CID 70573638) is 5-chloro-6-methylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-6-methylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-6-methylsulfanylpyrimidine-2,4-diamine is CSc1nc(N)nc(N)c1Cl.
What is the InChIKey of 5-chloro-6-methylsulfanylpyrimidine-2,4-diamine?
The InChIKey is FJFLRPAGWNDQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4S/c1-11-4-2(6)3(7)9-5(8)10-4/h1H3,(H4,7,8,9,10).
What are the key properties of 5-chloro-6-methylsulfanylpyrimidine-2,4-diamine?
5-chloro-6-methylsulfanylpyrimidine-2,4-diamine has a molecular weight of 190.66 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 70573638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).