N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine

C14H15BrClN3 — CID 63730041

IUPACN-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc(Cl)c2C(C)C)cc1Br
InChIInChI=1S/C14H15BrClN3/c1-8(2)12-13(16)17-7-18-14(12)19-10-5-4-9(3)11(15)6-10/h4-8H,1-3H3,(H,17,18,19)
InChIKeyLYQKENSJSGIEQQ-UHFFFAOYSA-N
MW340.65 g/mol
LogP5.07
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine

N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine (PubChem CID 63730041) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
PubChem CID63730041
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCc1ccc(Nc2ncnc(Cl)c2C(C)C)cc1Br
InChIInChI=1S/C14H15BrClN3/c1-8(2)12-13(16)17-7-18-14(12)19-10-5-4-9(3)11(15)6-10/h4-8H,1-3H3,(H,17,18,19)
InChIKeyLYQKENSJSGIEQQ-UHFFFAOYSA-N
XLogP5.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.65
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-N-(3,4-dimethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735586
N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 82859794
6-chloro-5-propan-2-yl-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 63730185
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
5-bromo-N-(3-bromo-4-methylphenyl)pyrimidin-4-amine
CID 66318405
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 107614909
N-(3-bromo-4-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79073488
5-bromo-2-[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]benzonitrile
CID 82703603
N-(3-bromo-4-methylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80914838
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 107530503
4-N-(4-fluoro-3-methylphenyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80824944
6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 55230248

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine (CID 63730041) is N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine is Cc1ccc(Nc2ncnc(Cl)c2C(C)C)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is LYQKENSJSGIEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-8(2)12-13(16)17-7-18-14(12)19-10-5-4-9(3)11(15)6-10/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 340.65 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 63730041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).