2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine

C11H9ClFN3O — CID 21114597

IUPAC2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine
SMILESNc1cnc(OCc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C11H9ClFN3O/c12-9-3-7(1-2-10(9)13)6-17-11-15-4-8(14)5-16-11/h1-5H,6,14H2
InChIKeyMIFUBPXTHDUSSW-UHFFFAOYSA-N
MW253.66 g/mol
LogP2.43
Rot. Bonds3

About 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine

2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine (PubChem CID 21114597) has the molecular formula C11H9ClFN3O and a molecular weight of 253.66 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine
PubChem CID21114597
Molecular FormulaC11H9ClFN3O
Molecular Weight253.66 g/mol
Exact Mass253.04
IUPAC Name2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine
SMILESNc1cnc(OCc2ccc(F)c(Cl)c2)nc1
InChIInChI=1S/C11H9ClFN3O/c12-9-3-7(1-2-10(9)13)6-17-11-15-4-8(14)5-16-11/h1-5H,6,14H2
InChIKeyMIFUBPXTHDUSSW-UHFFFAOYSA-N
XLogP2.43
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.66
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine (CID 21114597) is 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine is Nc1cnc(OCc2ccc(F)c(Cl)c2)nc1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine?
The InChIKey is MIFUBPXTHDUSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O/c12-9-3-7(1-2-10(9)13)6-17-11-15-4-8(14)5-16-11/h1-5H,6,14H2.
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine?
2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine has a molecular weight of 253.66 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methoxy]pyrimidin-5-amine is sourced from PubChem (CID 21114597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).