5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine

C11H9BrClN3 — CID 66302245

IUPAC5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(Cl)c2)ncc1Br
InChIInChI=1S/C11H9BrClN3/c1-14-11-9(12)6-15-10(16-11)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,14,15,16)
InChIKeyDMERUQFQACGUGC-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.60
Rot. Bonds2

About 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine

5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine (PubChem CID 66302245) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine
PubChem CID66302245
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC Name5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(Cl)c2)ncc1Br
InChIInChI=1S/C11H9BrClN3/c1-14-11-9(12)6-15-10(16-11)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,14,15,16)
InChIKeyDMERUQFQACGUGC-UHFFFAOYSA-N
XLogP3.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3,4-dibromophenyl)-N-methylpyrimidin-4-amine
CID 114077544
5-bromo-N-methyl-2-quinolin-6-ylpyrimidin-4-amine
CID 66304285
2-(3-chlorophenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045730
5-bromo-2-(2-chlorophenyl)-N-methylpyrimidin-4-amine
CID 66301431
5-bromo-N-methyl-2-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 104823414
5-bromo-2-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-4-amine
CID 66295670
5-bromo-2-(4-methoxy-3-methylphenyl)-N-methylpyrimidin-4-amine
CID 66296448
5-bromo-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
CID 66296832
5-bromo-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66297991
2-(3-chlorophenyl)-N-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 83190443
2-(2-bromo-5-chlorophenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66295504
7-(3-chlorophenyl)-N-methyl-2-phenylquinazolin-4-amine
CID 118477734

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine (CID 66302245) is 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine is CNc1nc(-c2cccc(Cl)c2)ncc1Br.
What is the InChIKey of 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine?
The InChIKey is DMERUQFQACGUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c1-14-11-9(12)6-15-10(16-11)7-3-2-4-8(13)5-7/h2-6H,1H3,(H,14,15,16).
What are the key properties of 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine?
5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine has a molecular weight of 298.57 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-chlorophenyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66302245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).