6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine

C13H13BrClN3 — CID 15916595

IUPAC6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Br)ncnc1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H13BrClN3/c1-8-12(14)16-7-17-13(8)18-9(2)10-3-5-11(15)6-4-10/h3-7,9H,1-2H3,(H,16,17,18)
InChIKeySJNBKPGHUHZRIB-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.37
Rot. Bonds3

About 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine

6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine (PubChem CID 15916595) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
PubChem CID15916595
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1c(Br)ncnc1NC(C)c1ccc(Cl)cc1
InChIInChI=1S/C13H13BrClN3/c1-8-12(14)16-7-17-13(8)18-9(2)10-3-5-11(15)6-4-10/h3-7,9H,1-2H3,(H,16,17,18)
InChIKeySJNBKPGHUHZRIB-UHFFFAOYSA-N
XLogP4.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-4,6-diamine
CID 80802406
6-chloro-N-[1-(4-chlorophenyl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 63728979
N-[1-(4-chlorophenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60631569
4-N-[1-(4-chlorophenyl)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80802117
6-chloro-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidin-4-amine
CID 63729135
N-[1-(4-chlorophenyl)ethyl]-5-fluoroquinazolin-4-amine
CID 55853802
N-[(1R)-1-(4-chlorophenyl)ethyl]-4,5-dimethyl-6-propan-2-ylpyridazin-3-amine
CID 121313849
4-N-[1-(4-chlorophenyl)ethyl]-2,5-dimethylpyrimidine-4,6-diamine
CID 80802407
5,6-dimethyl-N-[1-(4-methylsulfonylphenyl)ethyl]pyrimidin-4-amine
CID 72876342
4-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidine-2,4-diamine
CID 80802199
4-chloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43107320
6-chloro-5-methyl-N-(1-thiophen-3-ylethyl)pyrimidin-4-amine
CID 63729190

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine (CID 15916595) is 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine is Cc1c(Br)ncnc1NC(C)c1ccc(Cl)cc1.
What is the InChIKey of 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine?
The InChIKey is SJNBKPGHUHZRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-8-12(14)16-7-17-13(8)18-9(2)10-3-5-11(15)6-4-10/h3-7,9H,1-2H3,(H,16,17,18).
What are the key properties of 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine?
6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine has a molecular weight of 326.63 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 15916595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).