4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine

C7H12N4S — CID 816994

IUPAC4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(N(C)C)n1
InChIInChI=1S/C7H12N4S/c1-11(2)6-4-5(8)9-7(10-6)12-3/h4H,1-3H3,(H2,8,9,10)
InChIKeyZULDDUZNIUUNKV-UHFFFAOYSA-N
MW184.27 g/mol
LogP0.85
Rot. Bonds2

About 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine

4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 816994) has the molecular formula C7H12N4S and a molecular weight of 184.27 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID816994
Molecular FormulaC7H12N4S
Molecular Weight184.27 g/mol
Exact Mass184.08
IUPAC Name4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(N(C)C)n1
InChIInChI=1S/C7H12N4S/c1-11(2)6-4-5(8)9-7(10-6)12-3/h4H,1-3H3,(H2,8,9,10)
InChIKeyZULDDUZNIUUNKV-UHFFFAOYSA-N
XLogP0.85
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.27
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine (CID 816994) is 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine is CSc1nc(N)cc(N(C)C)n1.
What is the InChIKey of 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is ZULDDUZNIUUNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S/c1-11(2)6-4-5(8)9-7(10-6)12-3/h4H,1-3H3,(H2,8,9,10).
What are the key properties of 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine?
4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 184.27 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 816994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).