4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine

C10H7ClFN3O — CID 80864784

IUPAC4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H7ClFN3O/c11-6-1-3-7(4-2-6)16-9-8(12)5-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyMOFORZXCCAQVRK-UHFFFAOYSA-N
MW239.64 g/mol
LogP2.64
Rot. Bonds2

About 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine

4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine (PubChem CID 80864784) has the molecular formula C10H7ClFN3O and a molecular weight of 239.64 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
PubChem CID80864784
Molecular FormulaC10H7ClFN3O
Molecular Weight239.64 g/mol
Exact Mass239.03
IUPAC Name4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H7ClFN3O/c11-6-1-3-7(4-2-6)16-9-8(12)5-14-10(13)15-9/h1-5H,(H2,13,14,15)
InChIKeyMOFORZXCCAQVRK-UHFFFAOYSA-N
XLogP2.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.64
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-(4-phenylphenoxy)pyrimidin-2-amine
CID 80864930
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
4-(2-bromo-4-chlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881127
4-(3-bromo-4-fluorophenoxy)-5-chloropyrimidin-2-amine
CID 83238470
4-(2,3-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 80881412
4-(2-chloro-4-methylphenoxy)-5-fluoropyrimidin-2-amine
CID 80880887
4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine
CID 80862564
4-(4-chlorophenoxy)-5-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 139898375
4-(4-bromo-2,5-dichlorophenoxy)-5-fluoropyrimidin-2-amine
CID 107662603
2-chloro-5-fluoro-4-(4-phenylphenoxy)pyrimidine
CID 79081506
2-chloro-4-(4-ethoxyphenoxy)-5-fluoropyrimidine
CID 79081907
4-(2-amino-5-chloropyrimidin-4-yl)oxybenzamide
CID 80881851

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine (CID 80864784) is 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is MOFORZXCCAQVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFN3O/c11-6-1-3-7(4-2-6)16-9-8(12)5-14-10(13)15-9/h1-5H,(H2,13,14,15).
What are the key properties of 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine?
4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 239.64 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80864784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).