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

C18H15ClFN3O2 — CID 72696270

IUPACN-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2ccc(Cl)c(OCc3cccc(F)c3)c2)n1
InChIInChI=1S/C18H15ClFN3O2/c1-24-17-7-8-21-18(23-17)22-14-5-6-15(19)16(10-14)25-11-12-3-2-4-13(20)9-12/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyYRIRHZBNIADGIJ-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.60
Rot. Bonds6

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

N-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine (PubChem CID 72696270) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine
PubChem CID72696270
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2ccc(Cl)c(OCc3cccc(F)c3)c2)n1
InChIInChI=1S/C18H15ClFN3O2/c1-24-17-7-8-21-18(23-17)22-14-5-6-15(19)16(10-14)25-11-12-3-2-4-13(20)9-12/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyYRIRHZBNIADGIJ-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

CID 5329015
CID 5329015
CID 11502866
CID 11502866
CID 11502887
CID 11502887
CID 11537036
CID 11537036
CID 11561058
CID 11561058
CID 11597180
CID 11597180
CID 11601905
CID 11601905
CID 11612021
CID 11612021
CID 11640889
CID 11640889
CID 11669455
CID 11669455
CID 15956123
CID 15956123
CID 15956126
CID 15956126

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine (CID 72696270) is N-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine is COc1ccnc(Nc2ccc(Cl)c(OCc3cccc(F)c3)c2)n1.
What is the InChIKey of N-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
The InChIKey is YRIRHZBNIADGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-24-17-7-8-21-18(23-17)22-14-5-6-15(19)16(10-14)25-11-12-3-2-4-13(20)9-12/h2-10H,11H2,1H3,(H,21,22,23).
What are the key properties of N-[4-chloro-3-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
N-[4-chloro-3-[(3-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-[(3-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 72696270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).