N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine

C19H24ClFN4 — CID 56703514

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCCN(Cc1c(F)cccc1Cl)c1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C19H24ClFN4/c1-3-25(12-15-16(20)5-4-6-17(15)21)19-11-18(23-13(2)24-19)14-7-9-22-10-8-14/h4-6,11,14,22H,3,7-10,12H2,1-2H3
InChIKeyOESHADCVQKWAAS-UHFFFAOYSA-N
MW362.88 g/mol
LogP4.07
Rot. Bonds5

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

N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (PubChem CID 56703514) has the molecular formula C19H24ClFN4 and a molecular weight of 362.88 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
PubChem CID56703514
Molecular FormulaC19H24ClFN4
Molecular Weight362.88 g/mol
Exact Mass362.17
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine
SMILESCCN(Cc1c(F)cccc1Cl)c1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C19H24ClFN4/c1-3-25(12-15-16(20)5-4-6-17(15)21)19-11-18(23-13(2)24-19)14-7-9-22-10-8-14/h4-6,11,14,22H,3,7-10,12H2,1-2H3
InChIKeyOESHADCVQKWAAS-UHFFFAOYSA-N
XLogP4.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine (CID 56703514) is N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is CCN(Cc1c(F)cccc1Cl)c1cc(C2CCNCC2)nc(C)n1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
The InChIKey is OESHADCVQKWAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClFN4/c1-3-25(12-15-16(20)5-4-6-17(15)21)19-11-18(23-13(2)24-19)14-7-9-22-10-8-14/h4-6,11,14,22H,3,7-10,12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine has a molecular weight of 362.88 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N-ethyl-2-methyl-6-piperidin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56703514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).