N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine

C18H15ClFN3O2 — CID 72696269

IUPACN-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2ccc(Cl)c(OCc3ccccc3F)c2)n1
InChIInChI=1S/C18H15ClFN3O2/c1-24-17-8-9-21-18(23-17)22-13-6-7-14(19)16(10-13)25-11-12-4-2-3-5-15(12)20/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyFVFZOYUYFIPIDZ-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.60
Rot. Bonds6

About N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine

N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine (PubChem CID 72696269) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine
PubChem CID72696269
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2ccc(Cl)c(OCc3ccccc3F)c2)n1
InChIInChI=1S/C18H15ClFN3O2/c1-24-17-8-9-21-18(23-17)22-13-6-7-14(19)16(10-13)25-11-12-4-2-3-5-15(12)20/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyFVFZOYUYFIPIDZ-UHFFFAOYSA-N
XLogP4.60
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2-fluorophenyl)-7-(2-methoxyethoxy)quinazolin-4-amine
CID 5329015
N-(3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)-5-(phenylethynyl)pyrimidin-4-amine
CID 11502866
N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-5-(2-(pyridin-3-yl)ethynyl)pyrimidin-4-amine
CID 11502887
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-methoxy-pyrimidin-2-amine
CID 11537036
N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-5-(2-(pyrimidin-2-yl)ethynyl)pyrimidin-4-amine
CID 11561058
N-(4-(3-fluorobenzyloxy)-3-chlorophenyl)-5-(2-(pyridin-2-yl)ethynyl)pyrimidin-4-amine
CID 11597180
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-4-methyl-pyrimidin-2-amine
CID 11601905
5-[(3-Aminophenyl)ethynyl]-N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}pyrimidin-4-amine
CID 11612021
4-((4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)pyrimidin-5-yl)ethynyl)pyrimidin-2-amine
CID 11640889
5-((4-Aminophenyl)ethynyl)-N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)pyrimidin-4-amine
CID 11669455
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine
CID 15956123
4-methoxy-N-(4-methyl-3-(3-methylbut-2-enyloxy)phenyl)pyrimidin-2-amine
CID 15956126

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine (CID 72696269) is N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine is COc1ccnc(Nc2ccc(Cl)c(OCc3ccccc3F)c2)n1.
What is the InChIKey of N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
The InChIKey is FVFZOYUYFIPIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-24-17-8-9-21-18(23-17)22-13-6-7-14(19)16(10-13)25-11-12-4-2-3-5-15(12)20/h2-10H,11H2,1H3,(H,21,22,23).
What are the key properties of N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine has a molecular weight of 359.79 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[(2-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 72696269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).