N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine

C11H9BrClN3 — CID 61277543

IUPACN-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)ncn2)ccc1Br
InChIInChI=1S/C11H9BrClN3/c1-7-4-8(2-3-9(7)12)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyCWLOXNSDGPGNLB-UHFFFAOYSA-N
MW298.57 g/mol
LogP3.94
Rot. Bonds2

About N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine

N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine (PubChem CID 61277543) has the molecular formula C11H9BrClN3 and a molecular weight of 298.57 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
PubChem CID61277543
Molecular FormulaC11H9BrClN3
Molecular Weight298.57 g/mol
Exact Mass296.97
IUPAC NameN-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
SMILESCc1cc(Nc2cc(Cl)ncn2)ccc1Br
InChIInChI=1S/C11H9BrClN3/c1-7-4-8(2-3-9(7)12)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16)
InChIKeyCWLOXNSDGPGNLB-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
6-chloro-N-(4-chlorophenyl)pyrimidin-4-amine
CID 61279778
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
4-N-(4-bromo-3-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 107617790
4-[(6-chloropyrimidin-4-yl)amino]phenol
CID 18009128
6-chloro-N-(6-chloropyrimidin-4-yl)pyrimidin-4-amine
CID 56605349
6-chloro-N-phenylpyrimidin-4-amine;hydrochloride
CID 86673656
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
6-chloro-N-(4-phenylphenyl)pyrimidin-4-amine
CID 63548572
2-N-(4-bromo-3-methylphenyl)pyrazine-2,5-diamine
CID 80652758
6-(4-bromo-3-methylanilino)-3-chloropyridine-2-carboxylic acid
CID 29038766

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine (CID 61277543) is N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine is Cc1cc(Nc2cc(Cl)ncn2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine?
The InChIKey is CWLOXNSDGPGNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN3/c1-7-4-8(2-3-9(7)12)16-11-5-10(13)14-6-15-11/h2-6H,1H3,(H,14,15,16).
What are the key properties of N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine has a molecular weight of 298.57 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine is sourced from PubChem (CID 61277543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).