5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine

C12H11BrClN3 — CID 66340835

IUPAC5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)c1ncncc1Br
InChIInChI=1S/C12H11BrClN3/c1-17(12-11(13)6-15-8-16-12)7-9-2-4-10(14)5-3-9/h2-6,8H,7H2,1H3
InChIKeyAKEWMOHXNXBJCV-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.53
Rot. Bonds3

About 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine

5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine (PubChem CID 66340835) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
PubChem CID66340835
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine
SMILESCN(Cc1ccc(Cl)cc1)c1ncncc1Br
InChIInChI=1S/C12H11BrClN3/c1-17(12-11(13)6-15-8-16-12)7-9-2-4-10(14)5-3-9/h2-6,8H,7H2,1H3
InChIKeyAKEWMOHXNXBJCV-UHFFFAOYSA-N
XLogP3.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine (CID 66340835) is 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine is CN(Cc1ccc(Cl)cc1)c1ncncc1Br.
What is the InChIKey of 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine?
The InChIKey is AKEWMOHXNXBJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-17(12-11(13)6-15-8-16-12)7-9-2-4-10(14)5-3-9/h2-6,8H,7H2,1H3.
What are the key properties of 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine?
5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine has a molecular weight of 312.60 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(4-chlorophenyl)methyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66340835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).