5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine

C15H17BrClN3S — CID 66304952

IUPAC5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSc2ccccc2Cl)nc(NC)c1Br
InChIInChI=1S/C15H17BrClN3S/c1-3-6-11-14(16)15(18-2)20-13(19-11)9-21-12-8-5-4-7-10(12)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyUPTRRSPOIVLIEJ-UHFFFAOYSA-N
MW386.75 g/mol
LogP5.18
Rot. Bonds6

About 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine

5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66304952) has the molecular formula C15H17BrClN3S and a molecular weight of 386.75 g/mol. Its IUPAC name is 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66304952
Molecular FormulaC15H17BrClN3S
Molecular Weight386.75 g/mol
Exact Mass385.00
IUPAC Name5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSc2ccccc2Cl)nc(NC)c1Br
InChIInChI=1S/C15H17BrClN3S/c1-3-6-11-14(16)15(18-2)20-13(19-11)9-21-12-8-5-4-7-10(12)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20)
InChIKeyUPTRRSPOIVLIEJ-UHFFFAOYSA-N
XLogP5.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.75
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine (CID 66304952) is 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(CSc2ccccc2Cl)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is UPTRRSPOIVLIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3S/c1-3-6-11-14(16)15(18-2)20-13(19-11)9-21-12-8-5-4-7-10(12)17/h4-5,7-8H,3,6,9H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 386.75 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66304952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).