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

C14H24BrN3S — CID 66305162

IUPAC5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSCC(C)C)nc(NCC)c1Br
InChIInChI=1S/C14H24BrN3S/c1-5-7-11-13(15)14(16-6-2)18-12(17-11)9-19-8-10(3)4/h10H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyXRHFTAOKUUOHHA-UHFFFAOYSA-N
MW346.34 g/mol
LogP4.51
Rot. Bonds8

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

5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine (PubChem CID 66305162) has the molecular formula C14H24BrN3S and a molecular weight of 346.34 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
PubChem CID66305162
Molecular FormulaC14H24BrN3S
Molecular Weight346.34 g/mol
Exact Mass345.09
IUPAC Name5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSCC(C)C)nc(NCC)c1Br
InChIInChI=1S/C14H24BrN3S/c1-5-7-11-13(15)14(16-6-2)18-12(17-11)9-19-8-10(3)4/h10H,5-9H2,1-4H3,(H,16,17,18)
InChIKeyXRHFTAOKUUOHHA-UHFFFAOYSA-N
XLogP4.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine (CID 66305162) is 5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine is CCCc1nc(CSCC(C)C)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine?
The InChIKey is XRHFTAOKUUOHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3S/c1-5-7-11-13(15)14(16-6-2)18-12(17-11)9-19-8-10(3)4/h10H,5-9H2,1-4H3,(H,16,17,18).
What are the key properties of 5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine?
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine has a molecular weight of 346.34 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).