6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine

C8H10Br2ClN3 — CID 3070103

IUPAC6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)c(CC(Br)CBr)c(Cl)n1
InChIInChI=1S/C8H10Br2ClN3/c1-4-13-7(11)6(8(12)14-4)2-5(10)3-9/h5H,2-3H2,1H3,(H2,12,13,14)
InChIKeyNCWOCIBSHJRJAJ-UHFFFAOYSA-N
MW343.45 g/mol
LogP2.72
Rot. Bonds3

About 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine

6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine (PubChem CID 3070103) has the molecular formula C8H10Br2ClN3 and a molecular weight of 343.45 g/mol. Its IUPAC name is 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine
PubChem CID3070103
Molecular FormulaC8H10Br2ClN3
Molecular Weight343.45 g/mol
Exact Mass340.89
IUPAC Name6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine
SMILESCc1nc(N)c(CC(Br)CBr)c(Cl)n1
InChIInChI=1S/C8H10Br2ClN3/c1-4-13-7(11)6(8(12)14-4)2-5(10)3-9/h5H,2-3H2,1H3,(H2,12,13,14)
InChIKeyNCWOCIBSHJRJAJ-UHFFFAOYSA-N
XLogP2.72
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine (CID 3070103) is 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine is Cc1nc(N)c(CC(Br)CBr)c(Cl)n1.
What is the InChIKey of 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine?
The InChIKey is NCWOCIBSHJRJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Br2ClN3/c1-4-13-7(11)6(8(12)14-4)2-5(10)3-9/h5H,2-3H2,1H3,(H2,12,13,14).
What are the key properties of 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine?
6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine has a molecular weight of 343.45 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2,3-dibromopropyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 3070103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).