4-(2-bromophenyl)-N-methylpyrimidin-2-amine

C11H10BrN3 — CID 63548579

IUPAC4-(2-bromophenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2ccccc2Br)n1
InChIInChI=1S/C11H10BrN3/c1-13-11-14-7-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14,15)
InChIKeyCLMQVIBTNKSHFJ-UHFFFAOYSA-N
MW264.13 g/mol
LogP2.95
Rot. Bonds2

About 4-(2-bromophenyl)-N-methylpyrimidin-2-amine

4-(2-bromophenyl)-N-methylpyrimidin-2-amine (PubChem CID 63548579) has the molecular formula C11H10BrN3 and a molecular weight of 264.13 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-methylpyrimidin-2-amine
PubChem CID63548579
Molecular FormulaC11H10BrN3
Molecular Weight264.13 g/mol
Exact Mass263.01
IUPAC Name4-(2-bromophenyl)-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2ccccc2Br)n1
InChIInChI=1S/C11H10BrN3/c1-13-11-14-7-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14,15)
InChIKeyCLMQVIBTNKSHFJ-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.13
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-bromophenyl)-N-methylpyrimidin-2-amine (CID 63548579) is 4-(2-bromophenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-N-methylpyrimidin-2-amine is CNc1nccc(-c2ccccc2Br)n1.
What is the InChIKey of 4-(2-bromophenyl)-N-methylpyrimidin-2-amine?
The InChIKey is CLMQVIBTNKSHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3/c1-13-11-14-7-6-10(15-11)8-4-2-3-5-9(8)12/h2-7H,1H3,(H,13,14,15).
What are the key properties of 4-(2-bromophenyl)-N-methylpyrimidin-2-amine?
4-(2-bromophenyl)-N-methylpyrimidin-2-amine has a molecular weight of 264.13 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 63548579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).