6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine

C13H13BrClN3 — CID 114256281

IUPAC6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Br)cc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H13BrClN3/c1-3-12-17-11(14)7-13(18-12)16-10-5-4-9(15)6-8(10)2/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyBNZMQESGVZKTNK-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.51
Rot. Bonds3

About 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine

6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine (PubChem CID 114256281) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
PubChem CID114256281
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(Br)cc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C13H13BrClN3/c1-3-12-17-11(14)7-13(18-12)16-10-5-4-9(15)6-8(10)2/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyBNZMQESGVZKTNK-UHFFFAOYSA-N
XLogP4.51
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 ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine
CID 114256298
4-N-(2-bromo-4-chlorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 81272137
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 81272386
4-N-(2-bromo-4-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256414
2-[(6-bromo-2-ethylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002700
N-(2,4-dichlorophenyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80937232
4-N-(4-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934644
4-N-(2-bromo-5-chlorophenyl)-2-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 81256620
4-N-(5-chloro-2-fluorophenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80933034
N-(5-bromo-2-fluorophenyl)-6-chloro-2-ethylpyrimidin-4-amine
CID 80936781
4-N-(4-chloro-2-methylphenyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 114256694
4-N-(5-chloro-2-fluorophenyl)-6-N,2-diethylpyrimidine-4,6-diamine
CID 80934267

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine (CID 114256281) is 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine is CCc1nc(Br)cc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine?
The InChIKey is BNZMQESGVZKTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-3-12-17-11(14)7-13(18-12)16-10-5-4-9(15)6-8(10)2/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine?
6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine has a molecular weight of 326.63 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(4-chloro-2-methylphenyl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 114256281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).