6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine

C14H15ClFN3 — CID 63728744

IUPAC6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCCc1ccc(F)cc1
InChIInChI=1S/C14H15ClFN3/c1-2-12-13(15)18-9-19-14(12)17-8-7-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyWFENUGMCMWMOKZ-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.49
Rot. Bonds5

About 6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine

6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine (PubChem CID 63728744) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
PubChem CID63728744
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCCc1ccc(F)cc1
InChIInChI=1S/C14H15ClFN3/c1-2-12-13(15)18-9-19-14(12)17-8-7-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,17,18,19)
InChIKeyWFENUGMCMWMOKZ-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,5-diamine
CID 55134343
6-chloro-5-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 63728917
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80911399
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
6-chloro-N-[2-(4-chlorophenyl)ethyl]-5-methylpyrimidin-4-amine
CID 55229875
6-chloro-5-ethyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 63826299
4-[(6-chloro-5-ethylpyrimidin-4-yl)amino]butan-2-ol
CID 64912142
6-chloro-5-ethyl-N-[2-(2-ethylphenoxy)ethyl]pyrimidin-4-amine
CID 13075482
6-chloro-5-ethyl-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564740
6-chloro-5-ethyl-N-pent-4-ynylpyrimidin-4-amine
CID 106223062
4-N-[2-(4-chlorophenyl)ethyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80794560

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine (CID 63728744) is 6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine is CCc1c(Cl)ncnc1NCCc1ccc(F)cc1.
What is the InChIKey of 6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
The InChIKey is WFENUGMCMWMOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-12-13(15)18-9-19-14(12)17-8-7-10-3-5-11(16)6-4-10/h3-6,9H,2,7-8H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.49, 5 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-[2-(4-fluorophenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 63728744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).