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

C10H16BrN3S — CID 66304089

IUPAC5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1ncc(Br)c(NCC)n1
InChIInChI=1S/C10H16BrN3S/c1-3-5-15-7-9-13-6-8(11)10(14-9)12-4-2/h6H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyWMBIURXLMVJFNH-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.31
Rot. Bonds6

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

5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66304089) has the molecular formula C10H16BrN3S and a molecular weight of 290.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66304089
Molecular FormulaC10H16BrN3S
Molecular Weight290.23 g/mol
Exact Mass289.02
IUPAC Name5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1ncc(Br)c(NCC)n1
InChIInChI=1S/C10H16BrN3S/c1-3-5-15-7-9-13-6-8(11)10(14-9)12-4-2/h6H,3-5,7H2,1-2H3,(H,12,13,14)
InChIKeyWMBIURXLMVJFNH-UHFFFAOYSA-N
XLogP3.31
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.31
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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Related Compounds

5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66302260
5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine
CID 66301436
5-bromo-N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304099
N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 65128593
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
CID 66302872
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
N-ethyl-5-iodo-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 66302915
5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 66302466
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66305569
N-ethyl-5-iodo-6-phenyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66307036
5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 66301850

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine (CID 66304089) is 5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine is CCCSCc1ncc(Br)c(NCC)n1.
What is the InChIKey of 5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is WMBIURXLMVJFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3S/c1-3-5-15-7-9-13-6-8(11)10(14-9)12-4-2/h6H,3-5,7H2,1-2H3,(H,12,13,14).
What are the key properties of 5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 290.23 g/mol, XLogP of 3.31, 6 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-(propylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66304089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).