5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine

C18H15ClF2N4 — CID 146590545

IUPAC5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine
SMILESCC(N)c1cc(Cl)cc(-c2cnc(N)nc2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C18H15ClF2N4/c1-9(22)15-4-12(19)5-16(11-7-24-18(23)25-8-11)17(15)10-2-13(20)6-14(21)3-10/h2-9H,22H2,1H3,(H2,23,24,25)
InChIKeyCJKIQIJOJHWHEF-UHFFFAOYSA-N
MW360.80 g/mol
LogP4.34
Rot. Bonds3

About 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine

5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine (PubChem CID 146590545) has the molecular formula C18H15ClF2N4 and a molecular weight of 360.80 g/mol. Its IUPAC name is 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine
PubChem CID146590545
Molecular FormulaC18H15ClF2N4
Molecular Weight360.80 g/mol
Exact Mass360.10
IUPAC Name5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine
SMILESCC(N)c1cc(Cl)cc(-c2cnc(N)nc2)c1-c1cc(F)cc(F)c1
InChIInChI=1S/C18H15ClF2N4/c1-9(22)15-4-12(19)5-16(11-7-24-18(23)25-8-11)17(15)10-2-13(20)6-14(21)3-10/h2-9H,22H2,1H3,(H2,23,24,25)
InChIKeyCJKIQIJOJHWHEF-UHFFFAOYSA-N
XLogP4.34
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine (CID 146590545) is 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine is CC(N)c1cc(Cl)cc(-c2cnc(N)nc2)c1-c1cc(F)cc(F)c1.
What is the InChIKey of 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine?
The InChIKey is CJKIQIJOJHWHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N4/c1-9(22)15-4-12(19)5-16(11-7-24-18(23)25-8-11)17(15)10-2-13(20)6-14(21)3-10/h2-9H,22H2,1H3,(H2,23,24,25).
What are the key properties of 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine?
5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine has a molecular weight of 360.80 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-aminoethyl)-5-chloro-2-(3,5-difluorophenyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 146590545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).