6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

C14H15ClFN3O — CID 80990919

IUPAC6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O/c1-7(2)13-18-12(17)8(3)14(19-13)20-9-4-5-11(16)10(15)6-9/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyRKXPLFGWQPEEJA-UHFFFAOYSA-N
MW295.75 g/mol
LogP4.08
Rot. Bonds3

About 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine

6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80990919) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID80990919
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1c(N)nc(C(C)C)nc1Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H15ClFN3O/c1-7(2)13-18-12(17)8(3)14(19-13)20-9-4-5-11(16)10(15)6-9/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyRKXPLFGWQPEEJA-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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Related Compounds

6-(3,5-dichlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988642
6-(3-chloro-4-fluorophenoxy)-2-cyclopropyl-5-methylpyrimidin-4-amine
CID 80990831
6-(3-chloro-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963670
6-(4-ethoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988578
[6-(4-chlorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-yl]hydrazine
CID 81001302
4-N-[(3-chloro-4-fluorophenyl)methyl]-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985285
2-(3-chloro-4-fluorophenoxy)-5-methylpyridin-3-amine
CID 66278255
6-(2-methoxyphenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80988180
5-chloro-4-(3-chloro-4-fluorophenoxy)pyrimidin-2-amine
CID 80876289
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
6-(4-chloro-3-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 82719264
4-chloro-5-methyl-6-(3-methylphenoxy)-2-propan-2-ylpyrimidine
CID 80973136

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine (CID 80990919) is 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1c(N)nc(C(C)C)nc1Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is RKXPLFGWQPEEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-7(2)13-18-12(17)8(3)14(19-13)20-9-4-5-11(16)10(15)6-9/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine?
6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-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 6-(3-chloro-4-fluorophenoxy)-5-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80990919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).