6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine

C13H12Cl2FN3 — CID 107530503

IUPAC6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H12Cl2FN3/c1-7(2)11-12(15)17-6-18-13(11)19-10-5-8(16)3-4-9(10)14/h3-7H,1-2H3,(H,17,18,19)
InChIKeyYQEGIMOOFLFVMC-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.79
Rot. Bonds3

About 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine

6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 107530503) has the molecular formula C13H12Cl2FN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
PubChem CID107530503
Molecular FormulaC13H12Cl2FN3
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1c(Cl)ncnc1Nc1cc(F)ccc1Cl
InChIInChI=1S/C13H12Cl2FN3/c1-7(2)11-12(15)17-6-18-13(11)19-10-5-8(16)3-4-9(10)14/h3-7H,1-2H3,(H,17,18,19)
InChIKeyYQEGIMOOFLFVMC-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(2-chloro-5-fluorophenyl)-5-methylpyrimidine-4,6-diamine
CID 107531796
N-(2-bromo-6-chloro-4-fluorophenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 107614909
6-chloro-5-propan-2-yl-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 63730185
6-chloro-N-[2-(difluoromethoxy)phenyl]-5-propan-2-ylpyrimidin-4-amine
CID 63734205
6-chloro-N-(2-iodophenyl)-5-propan-2-ylpyrimidin-4-amine
CID 55230248
6-chloro-N-naphthalen-1-yl-5-propan-2-ylpyrimidin-4-amine
CID 63734571
4-N-(2-chloro-5-fluorophenyl)-5-methoxypyrimidine-4,6-diamine
CID 107531835
4-N-(5-bromo-2-chlorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80825284
4-chloro-6-(2-chloro-4-fluorophenyl)-5-propan-2-ylpyrimidine
CID 113324916
6-chloro-N-(2-chloro-4-fluorophenyl)-5-methylpyrimidin-4-amine
CID 63736084
4-N-(2-chloro-5-fluorophenyl)pyrimidine-4,5-diamine
CID 107526809
6-chloro-N-(2-ethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735623

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine (CID 107530503) is 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine is CC(C)c1c(Cl)ncnc1Nc1cc(F)ccc1Cl.
What is the InChIKey of 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is YQEGIMOOFLFVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3/c1-7(2)11-12(15)17-6-18-13(11)19-10-5-8(16)3-4-9(10)14/h3-7H,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine?
6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 300.16 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-5-fluorophenyl)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 107530503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).