2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C8H14N4S — CID 80766259

IUPAC2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)C)n1
InChIInChI=1S/C8H14N4S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H3,9,10,11,12)
InChIKeyYLINARBFBMMWKH-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.60
Rot. Bonds3

About 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine

2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80766259) has the molecular formula C8H14N4S and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80766259
Molecular FormulaC8H14N4S
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Name2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCSc1nc(N)cc(NC(C)C)n1
InChIInChI=1S/C8H14N4S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H3,9,10,11,12)
InChIKeyYLINARBFBMMWKH-UHFFFAOYSA-N
XLogP1.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 80766259) is 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine is CSc1nc(N)cc(NC(C)C)n1.
What is the InChIKey of 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is YLINARBFBMMWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S/c1-5(2)10-7-4-6(9)11-8(12-7)13-3/h4-5H,1-3H3,(H3,9,10,11,12).
What are the key properties of 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 198.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80766259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).