N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine

C11H8BrCl2N3 — CID 103481040

IUPACN-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Cl)c2Br)nc(Cl)n1
InChIInChI=1S/C11H8BrCl2N3/c1-6-5-9(17-11(14)15-6)16-8-4-2-3-7(13)10(8)12/h2-5H,1H3,(H,15,16,17)
InChIKeyGGZCLNKFZUGJEM-UHFFFAOYSA-N
MW333.02 g/mol
LogP4.60
Rot. Bonds2

About N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine

N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine (PubChem CID 103481040) has the molecular formula C11H8BrCl2N3 and a molecular weight of 333.02 g/mol. Its IUPAC name is N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
PubChem CID103481040
Molecular FormulaC11H8BrCl2N3
Molecular Weight333.02 g/mol
Exact Mass330.93
IUPAC NameN-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cccc(Cl)c2Br)nc(Cl)n1
InChIInChI=1S/C11H8BrCl2N3/c1-6-5-9(17-11(14)15-6)16-8-4-2-3-7(13)10(8)12/h2-5H,1H3,(H,15,16,17)
InChIKeyGGZCLNKFZUGJEM-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.02
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromo-5-methylphenyl)-2-chloro-6-methylpyrimidin-4-amine
CID 82766798
2-chloro-N-(2-methoxyphenyl)-6-methylpyrimidin-4-amine
CID 55080697
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 114002705
N-(2-bromo-3-chlorophenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 103481032
2-chloro-6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 62476740
2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62477629
2-(2-bromo-3-chloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 107545453
N-(2-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562802
6-N-(2-bromo-3-chlorophenyl)-2-N-ethylpyridine-2,6-diamine
CID 103481895
4-N-(2-bromo-3-chlorophenyl)-6-N-ethyl-2-propylpyrimidine-4,6-diamine
CID 103481880
3-chloro-4-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107809621
4-bromo-2-[(2-chloro-6-methylpyrimidin-4-yl)amino]benzonitrile
CID 107800105

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine?
The IUPAC name of N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine (CID 103481040) is N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine is Cc1cc(Nc2cccc(Cl)c2Br)nc(Cl)n1.
What is the InChIKey of N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine?
The InChIKey is GGZCLNKFZUGJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrCl2N3/c1-6-5-9(17-11(14)15-6)16-8-4-2-3-7(13)10(8)12/h2-5H,1H3,(H,15,16,17).
What are the key properties of N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine?
N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine has a molecular weight of 333.02 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-chlorophenyl)-2-chloro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 103481040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).