4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine

C20H20FN3O2 — CID 56575410

IUPAC4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine
SMILESCOc1ccc(C(C)N(C)c2nccc(Oc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H20FN3O2/c1-14(15-4-8-17(25-3)9-5-15)24(2)20-22-13-12-19(23-20)26-18-10-6-16(21)7-11-18/h4-14H,1-3H3
InChIKeyBSFSLHWGGUZGAD-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.61
Rot. Bonds6

About 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine

4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine (PubChem CID 56575410) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine
PubChem CID56575410
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine
SMILESCOc1ccc(C(C)N(C)c2nccc(Oc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H20FN3O2/c1-14(15-4-8-17(25-3)9-5-15)24(2)20-22-13-12-19(23-20)26-18-10-6-16(21)7-11-18/h4-14H,1-3H3
InChIKeyBSFSLHWGGUZGAD-UHFFFAOYSA-N
XLogP4.61
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
N-ethyl-4-(4-fluorophenoxy)-N-(1-pyridin-3-ylethyl)pyrimidin-2-amine
CID 133316163
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
3-[[4-(4-fluorophenoxy)pyrimidin-2-yl]-methylamino]propanenitrile
CID 133370504
N-[(5-bromofuran-2-yl)methyl]-4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 56575420
4-(4-fluorophenoxy)-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 133311843
4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine
CID 56554175
4-(4-methoxyphenoxy)pyrimidin-2-amine
CID 80869938
4-(4-iodophenoxy)-N,N-dimethylpyrimidin-2-amine
CID 64829666
4-(4-fluorophenoxy)-2-methylsulfonylpyrimidine
CID 141073183
(3S)-3-[[4-(4-fluorophenoxy)pyrimidin-2-yl]-methylamino]-1-methylpyrrolidin-2-one
CID 95632441
(1S)-1-[4-(4-methoxypyrimidin-2-yl)oxyphenyl]ethanol
CID 94830433

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine (CID 56575410) is 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine is COc1ccc(C(C)N(C)c2nccc(Oc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine?
The InChIKey is BSFSLHWGGUZGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-14(15-4-8-17(25-3)9-5-15)24(2)20-22-13-12-19(23-20)26-18-10-6-16(21)7-11-18/h4-14H,1-3H3.
What are the key properties of 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine?
4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine has a molecular weight of 353.40 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 56575410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).