4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine

C14H15ClFN3O — CID 80875452

IUPAC4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1nc(N)ncc1F
InChIInChI=1S/C14H15ClFN3O/c1-7(2)9-5-12(8(3)4-10(9)15)20-13-11(16)6-18-14(17)19-13/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyLWDRIZZLOXNHTJ-UHFFFAOYSA-N
MW295.75 g/mol
LogP4.08
Rot. Bonds3

About 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine

4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine (PubChem CID 80875452) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine
PubChem CID80875452
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine
SMILESCc1cc(Cl)c(C(C)C)cc1Oc1nc(N)ncc1F
InChIInChI=1S/C14H15ClFN3O/c1-7(2)9-5-12(8(3)4-10(9)15)20-13-11(16)6-18-14(17)19-13/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyLWDRIZZLOXNHTJ-UHFFFAOYSA-N
XLogP4.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine (CID 80875452) is 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine is Cc1cc(Cl)c(C(C)C)cc1Oc1nc(N)ncc1F.
What is the InChIKey of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine?
The InChIKey is LWDRIZZLOXNHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-7(2)9-5-12(8(3)4-10(9)15)20-13-11(16)6-18-14(17)19-13/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine?
4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine has a molecular weight of 295.75 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methyl-5-propan-2-ylphenoxy)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 80875452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).