N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

C18H16ClFN4 — CID 133356492

IUPACN-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2c(F)cccc2Cl)nc(-c2cccnc2)n1
InChIInChI=1S/C18H16ClFN4/c1-11-9-16(24-18(22-11)13-5-4-8-21-10-13)23-12(2)17-14(19)6-3-7-15(17)20/h3-10,12H,1-2H3,(H,22,23,24)
InChIKeyWSNGWEHFOLGNQK-UHFFFAOYSA-N
MW342.81 g/mol
LogP4.81
Rot. Bonds4

About N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine

N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (PubChem CID 133356492) has the molecular formula C18H16ClFN4 and a molecular weight of 342.81 g/mol. Its IUPAC name is N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
PubChem CID133356492
Molecular FormulaC18H16ClFN4
Molecular Weight342.81 g/mol
Exact Mass342.10
IUPAC NameN-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine
SMILESCc1cc(NC(C)c2c(F)cccc2Cl)nc(-c2cccnc2)n1
InChIInChI=1S/C18H16ClFN4/c1-11-9-16(24-18(22-11)13-5-4-8-21-10-13)23-12(2)17-14(19)6-3-7-15(17)20/h3-10,12H,1-2H3,(H,22,23,24)
InChIKeyWSNGWEHFOLGNQK-UHFFFAOYSA-N
XLogP4.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine (CID 133356492) is N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is Cc1cc(NC(C)c2c(F)cccc2Cl)nc(-c2cccnc2)n1.
What is the InChIKey of N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is WSNGWEHFOLGNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4/c1-11-9-16(24-18(22-11)13-5-4-8-21-10-13)23-12(2)17-14(19)6-3-7-15(17)20/h3-10,12H,1-2H3,(H,22,23,24).
What are the key properties of N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine?
N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine has a molecular weight of 342.81 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-6-fluorophenyl)ethyl]-6-methyl-2-pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 133356492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).