N-ethyl-2-methylsulfanylpyrimidin-4-amine

C7H11N3S — CID 67325580

IUPACN-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1ccnc(SC)n1
InChIInChI=1S/C7H11N3S/c1-3-8-6-4-5-9-7(10-6)11-2/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyXDATXFTXDBHACS-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.63
Rot. Bonds3

About N-ethyl-2-methylsulfanylpyrimidin-4-amine

N-ethyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 67325580) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N-ethyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID67325580
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN-ethyl-2-methylsulfanylpyrimidin-4-amine
SMILESCCNc1ccnc(SC)n1
InChIInChI=1S/C7H11N3S/c1-3-8-6-4-5-9-7(10-6)11-2/h4-5H,3H2,1-2H3,(H,8,9,10)
InChIKeyXDATXFTXDBHACS-UHFFFAOYSA-N
XLogP1.63
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methylsulfanylpyrimidin-4-amine (CID 67325580) is N-ethyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methylsulfanylpyrimidin-4-amine is CCNc1ccnc(SC)n1.
What is the InChIKey of N-ethyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is XDATXFTXDBHACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-3-8-6-4-5-9-7(10-6)11-2/h4-5H,3H2,1-2H3,(H,8,9,10).
What are the key properties of N-ethyl-2-methylsulfanylpyrimidin-4-amine?
N-ethyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 169.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 67325580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).