5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine

C10H16BrN3S — CID 66300996

IUPAC5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1nc(N)c(Br)c(CC)n1
InChIInChI=1S/C10H16BrN3S/c1-3-5-15-6-8-13-7(4-2)9(11)10(12)14-8/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyBGUJHVDCVOQWID-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.03
Rot. Bonds5

About 5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine

5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66300996) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66300996
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1nc(N)c(Br)c(CC)n1
InChIInChI=1S/C10H16BrN3S/c1-3-5-15-6-8-13-7(4-2)9(11)10(12)14-8/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyBGUJHVDCVOQWID-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (CID 66300996) is 5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine is CCCSCc1nc(N)c(Br)c(CC)n1.
What is the InChIKey of 5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is BGUJHVDCVOQWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-3-5-15-6-8-13-7(4-2)9(11)10(12)14-8/h3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 290.23 g/mol, XLogP of 3.03, 5 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-(propylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66300996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).