6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine

C13H12Cl2FN3 — CID 80974136

IUPAC6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl2FN3/c1-3-11-18-12(15)7(2)13(19-11)17-8-4-5-10(16)9(14)6-8/h4-6H,3H2,1-2H3,(H,17,18,19)
InChIKeyXXMSGFIHOPHSMJ-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.54
Rot. Bonds3

About 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine

6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80974136) has the molecular formula C13H12Cl2FN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80974136
Molecular FormulaC13H12Cl2FN3
Molecular Weight300.16 g/mol
Exact Mass299.04
IUPAC Name6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCc1nc(Cl)c(C)c(Nc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C13H12Cl2FN3/c1-3-11-18-12(15)7(2)13(19-11)17-8-4-5-10(16)9(14)6-8/h4-6H,3H2,1-2H3,(H,17,18,19)
InChIKeyXXMSGFIHOPHSMJ-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-ethyl-5-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 80970680
6-chloro-N-(3-chloro-4-fluorophenyl)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80972758
6-chloro-2-ethyl-N-(4-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80974052
6-chloro-2-ethyl-5-methyl-N-(2,4,5-trichlorophenyl)pyrimidin-4-amine
CID 80973855
N-(1-benzothiophen-5-yl)-6-chloro-2-ethyl-5-methylpyrimidin-4-amine
CID 80977515
4-N-(3-chloro-4-methylphenyl)-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80976447
4-N-(4-bromo-3-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 107617789
6-chloro-N-(3,4-dimethylphenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80973603
6-chloro-2-ethyl-N-(3-fluoro-2-iodophenyl)-5-methylpyrimidin-4-amine
CID 114260994
6-chloro-N-(2,5-dimethylphenyl)-2-ethyl-5-methylpyrimidin-4-amine
CID 80974443
6-chloro-N-(3,5-difluorophenyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80970481
4-N-(3-bromo-4-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992119

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine (CID 80974136) is 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine is CCc1nc(Cl)c(C)c(Nc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is XXMSGFIHOPHSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2FN3/c1-3-11-18-12(15)7(2)13(19-11)17-8-4-5-10(16)9(14)6-8/h4-6H,3H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine?
6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 300.16 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-chloro-4-fluorophenyl)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80974136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).