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

C18H15ClFN3O2 — CID 72696271

IUPACN-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2ccc(Cl)c(OCc3ccc(F)cc3)c2)n1
InChIInChI=1S/C18H15ClFN3O2/c1-24-17-8-9-21-18(23-17)22-14-6-7-15(19)16(10-14)25-11-12-2-4-13(20)5-3-12/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyGNHWEFRBSKOWRM-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.60
Rot. Bonds6

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

N-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine (PubChem CID 72696271) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine
PubChem CID72696271
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine
SMILESCOc1ccnc(Nc2ccc(Cl)c(OCc3ccc(F)cc3)c2)n1
InChIInChI=1S/C18H15ClFN3O2/c1-24-17-8-9-21-18(23-17)22-14-6-7-15(19)16(10-14)25-11-12-2-4-13(20)5-3-12/h2-10H,11H2,1H3,(H,21,22,23)
InChIKeyGNHWEFRBSKOWRM-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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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of N-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine (CID 72696271) is N-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for N-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for N-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine is COc1ccnc(Nc2ccc(Cl)c(OCc3ccc(F)cc3)c2)n1.
What is the InChIKey of N-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
The InChIKey is GNHWEFRBSKOWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-24-17-8-9-21-18(23-17)22-14-6-7-15(19)16(10-14)25-11-12-2-4-13(20)5-3-12/h2-10H,11H2,1H3,(H,21,22,23).
What are the key properties of N-[4-chloro-3-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine?
N-[4-chloro-3-[(4-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-[(4-fluorophenyl)methoxy]phenyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 72696271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).