N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine

C15H18FN3O — CID 80863706

IUPACN-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccccc2F)c1C(C)C
InChIInChI=1S/C15H18FN3O/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-8-6-5-7-11(12)16/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyLLZHQYKDLRSFLS-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.96
Rot. Bonds5

About N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine

N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine (PubChem CID 80863706) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
PubChem CID80863706
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
SMILESCCNc1ncnc(Oc2ccccc2F)c1C(C)C
InChIInChI=1S/C15H18FN3O/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-8-6-5-7-11(12)16/h5-10H,4H2,1-3H3,(H,17,18,19)
InChIKeyLLZHQYKDLRSFLS-UHFFFAOYSA-N
XLogP3.96
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
6-(2-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80863799
6-(4-bromo-2-fluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80875099
N-ethyl-6-(3-fluoro-4-methylphenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 107171713
N-ethyl-6-(2-fluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-amine
CID 80884434
6-(3-chlorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80869449
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
6-[(2-chlorophenyl)methoxy]-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80844937
N-ethyl-6-(3-methylbutan-2-yloxy)-5-propan-2-ylpyrimidin-4-amine
CID 80883020
N-ethyl-5-propan-2-yl-6-prop-2-ynoxypyrimidin-4-amine
CID 80861670
6-N-ethyl-4-N-(4-fluorophenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80761235
2-[6-(ethylamino)-5-methylpyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80875391

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine (CID 80863706) is N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine is CCNc1ncnc(Oc2ccccc2F)c1C(C)C.
What is the InChIKey of N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is LLZHQYKDLRSFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-17-14-13(10(2)3)15(19-9-18-14)20-12-8-6-5-7-11(12)16/h5-10H,4H2,1-3H3,(H,17,18,19).
What are the key properties of N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine?
N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 275.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80863706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).