N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine

C15H18FN3O2 — CID 80874712

IUPACN-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(Oc2ccc(CCOC)cc2)n1
InChIInChI=1S/C15H18FN3O2/c1-3-17-15-18-10-13(16)14(19-15)21-12-6-4-11(5-7-12)8-9-20-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyDFDDFTSATCJEPI-UHFFFAOYSA-N
MW291.33 g/mol
LogP3.03
Rot. Bonds7

About N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine

N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine (PubChem CID 80874712) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
PubChem CID80874712
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC NameN-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
SMILESCCNc1ncc(F)c(Oc2ccc(CCOC)cc2)n1
InChIInChI=1S/C15H18FN3O2/c1-3-17-15-18-10-13(16)14(19-15)21-12-6-4-11(5-7-12)8-9-20-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19)
InChIKeyDFDDFTSATCJEPI-UHFFFAOYSA-N
XLogP3.03
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-butylphenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 115493705
5-fluoro-4-(4-fluorophenoxy)-N-propylpyrimidin-2-amine
CID 80870299
2-[4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]oxyphenyl]ethanol
CID 107710279
2-N-ethyl-5-fluoro-4-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 80771381
5-fluoro-4-phenoxy-N-propylpyrimidin-2-amine
CID 80869263
2-[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]oxyphenyl]acetonitrile
CID 80864152
4-(3-bromo-4-fluorophenoxy)-5-fluoro-N-propylpyrimidin-2-amine
CID 83237096
[5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine
CID 80910662
N-ethyl-4-(4-iodophenoxy)-5-methylpyrimidin-2-amine
CID 80881024
4-(4-bromophenoxy)-N-ethyl-5-methylpyrimidin-2-amine
CID 80864511
4-[[4-[4-(2-methoxyethyl)phenoxy]-5-methylpyrimidin-2-yl]amino]benzonitrile
CID 71740683
5-bromo-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine
CID 80874710

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine?
The IUPAC name of N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine (CID 80874712) is N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine is CCNc1ncc(F)c(Oc2ccc(CCOC)cc2)n1.
What is the InChIKey of N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine?
The InChIKey is DFDDFTSATCJEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-3-17-15-18-10-13(16)14(19-15)21-12-6-4-11(5-7-12)8-9-20-2/h4-7,10H,3,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine?
N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine has a molecular weight of 291.33 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-amine is sourced from PubChem (CID 80874712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).