5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine

C16H20BrN3S — CID 66298866

IUPAC5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSc2ccccc2)nc(CC)c1Br
InChIInChI=1S/C16H20BrN3S/c1-3-10-18-16-15(17)13(4-2)19-14(20-16)11-21-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19,20)
InChIKeyYXOHAXQBIKNYQR-UHFFFAOYSA-N
MW366.33 g/mol
LogP4.92
Rot. Bonds7

About 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine

5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine (PubChem CID 66298866) has the molecular formula C16H20BrN3S and a molecular weight of 366.33 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine
PubChem CID66298866
Molecular FormulaC16H20BrN3S
Molecular Weight366.33 g/mol
Exact Mass365.06
IUPAC Name5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSc2ccccc2)nc(CC)c1Br
InChIInChI=1S/C16H20BrN3S/c1-3-10-18-16-15(17)13(4-2)19-14(20-16)11-21-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19,20)
InChIKeyYXOHAXQBIKNYQR-UHFFFAOYSA-N
XLogP4.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine (CID 66298866) is 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine is CCCNc1nc(CSc2ccccc2)nc(CC)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine?
The InChIKey is YXOHAXQBIKNYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3S/c1-3-10-18-16-15(17)13(4-2)19-14(20-16)11-21-12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine?
5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine has a molecular weight of 366.33 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66298866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).