2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol

C10H14Br2ClN3O — CID 3070105

IUPAC2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1nc(Cl)c(CC(Br)CBr)c(NCCO)n1
InChIInChI=1S/C10H14Br2ClN3O/c1-6-15-9(13)8(4-7(12)5-11)10(16-6)14-2-3-17/h7,17H,2-5H2,1H3,(H,14,15,16)
InChIKeyCSTQNFUDUSOIRH-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.54
Rot. Bonds6

About 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol

2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol (PubChem CID 3070105) has the molecular formula C10H14Br2ClN3O and a molecular weight of 387.50 g/mol. Its IUPAC name is 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol
PubChem CID3070105
Molecular FormulaC10H14Br2ClN3O
Molecular Weight387.50 g/mol
Exact Mass384.92
IUPAC Name2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol
SMILESCc1nc(Cl)c(CC(Br)CBr)c(NCCO)n1
InChIInChI=1S/C10H14Br2ClN3O/c1-6-15-9(13)8(4-7(12)5-11)10(16-6)14-2-3-17/h7,17H,2-5H2,1H3,(H,14,15,16)
InChIKeyCSTQNFUDUSOIRH-UHFFFAOYSA-N
XLogP2.54
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol (CID 3070105) is 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol is Cc1nc(Cl)c(CC(Br)CBr)c(NCCO)n1.
What is the InChIKey of 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol?
The InChIKey is CSTQNFUDUSOIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Br2ClN3O/c1-6-15-9(13)8(4-7(12)5-11)10(16-6)14-2-3-17/h7,17H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol?
2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol has a molecular weight of 387.50 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 3070105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).