2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine

C11H19N3S — CID 80990351

IUPAC2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(SC(C)C)n1
InChIInChI=1S/C11H19N3S/c1-6-9-13-10(12-5)8(4)11(14-9)15-7(2)3/h7H,6H2,1-5H3,(H,12,13,14)
InChIKeyPGWHFKBKQGSEBW-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.89
Rot. Bonds4

About 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine

2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80990351) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine
PubChem CID80990351
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(SC(C)C)n1
InChIInChI=1S/C11H19N3S/c1-6-9-13-10(12-5)8(4)11(14-9)15-7(2)3/h7H,6H2,1-5H3,(H,12,13,14)
InChIKeyPGWHFKBKQGSEBW-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine (CID 80990351) is 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine is CCc1nc(NC)c(C)c(SC(C)C)n1.
What is the InChIKey of 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is PGWHFKBKQGSEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-6-9-13-10(12-5)8(4)11(14-9)15-7(2)3/h7H,6H2,1-5H3,(H,12,13,14).
What are the key properties of 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine?
2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 225.36 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethyl-6-propan-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80990351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).