4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine

C19H18FN3O3 — CID 56575483

IUPAC4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine
SMILESCOCCOc1ccc(Nc2nccc(Oc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H18FN3O3/c1-24-12-13-25-16-8-4-15(5-9-16)22-19-21-11-10-18(23-19)26-17-6-2-14(20)3-7-17/h2-11H,12-13H2,1H3,(H,21,22,23)
InChIKeyHZHNKOBAEMHHLK-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.18
Rot. Bonds8

About 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine

4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine (PubChem CID 56575483) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine
PubChem CID56575483
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine
SMILESCOCCOc1ccc(Nc2nccc(Oc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H18FN3O3/c1-24-12-13-25-16-8-4-15(5-9-16)22-19-21-11-10-18(23-19)26-17-6-2-14(20)3-7-17/h2-11H,12-13H2,1H3,(H,21,22,23)
InChIKeyHZHNKOBAEMHHLK-UHFFFAOYSA-N
XLogP4.18
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenoxy)-N-[4-(2-methylsulfonylethyl)phenyl]pyrimidin-2-amine
CID 133398012
4-[[4-[4-(2-methoxyethyl)phenoxy]pyrimidin-2-yl]amino]benzonitrile
CID 71740451
4-(4-fluorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-2-amine
CID 56575580
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-(4-fluorophenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 56575278
2-N-(4-fluorophenyl)-4-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112903553
2-ethoxy-5-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 56575896
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
N-[3-methoxy-5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-4-naphthalen-1-yloxypyrimidin-2-amine
CID 151375324
4-(4-fluorophenoxy)-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 133311843
N-(4-bromophenyl)-2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]acetamide
CID 56557114
4-N-(2-methoxyethyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112885806

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine (CID 56575483) is 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine is COCCOc1ccc(Nc2nccc(Oc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine?
The InChIKey is HZHNKOBAEMHHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-24-12-13-25-16-8-4-15(5-9-16)22-19-21-11-10-18(23-19)26-17-6-2-14(20)3-7-17/h2-11H,12-13H2,1H3,(H,21,22,23).
What are the key properties of 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine has a molecular weight of 355.37 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[4-(2-methoxyethoxy)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56575483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).