6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine

C13H13ClFN3 — CID 55228721

IUPAC6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(F)ccc1C
InChIInChI=1S/C13H13ClFN3/c1-3-10-12(14)16-7-17-13(10)18-11-6-9(15)5-4-8(11)2/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyLVOXVLHCEKYHQT-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.88
Rot. Bonds3

About 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine

6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine (PubChem CID 55228721) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
PubChem CID55228721
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cc(F)ccc1C
InChIInChI=1S/C13H13ClFN3/c1-3-10-12(14)16-7-17-13(10)18-11-6-9(15)5-4-8(11)2/h4-7H,3H2,1-2H3,(H,16,17,18)
InChIKeyLVOXVLHCEKYHQT-UHFFFAOYSA-N
XLogP3.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-4-N-(5-fluoro-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80751201
4-N-(5-fluoro-2-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80762346
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
6-chloro-N-(2,5-dimethylphenyl)-5-propylpyrimidin-4-amine
CID 63735436
6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
CID 107637059
N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine
CID 102806833
6-chloro-N-(2-chloro-4,6-difluorophenyl)-5-ethylpyrimidin-4-amine
CID 83087255
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728744
4-N-(2,5-difluorophenyl)-6-N,5-diethylpyrimidine-4,6-diamine
CID 80759222
6-chloro-5-ethyl-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564740
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine (CID 55228721) is 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1cc(F)ccc1C.
What is the InChIKey of 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine?
The InChIKey is LVOXVLHCEKYHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-3-10-12(14)16-7-17-13(10)18-11-6-9(15)5-4-8(11)2/h4-7H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine?
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine has a molecular weight of 265.72 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 55228721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).