4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine

C20H20FN3O2 — CID 56554175

IUPAC4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine
SMILESCOc1ccc(C)cc1C(C)Nc1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O2/c1-13-4-9-18(25-3)17(12-13)14(2)23-20-22-11-10-19(24-20)26-16-7-5-15(21)6-8-16/h4-12,14H,1-3H3,(H,22,23,24)
InChIKeyPGZZERZAGVNAMR-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.90
Rot. Bonds6

About 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine

4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine (PubChem CID 56554175) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine
PubChem CID56554175
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine
SMILESCOc1ccc(C)cc1C(C)Nc1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C20H20FN3O2/c1-13-4-9-18(25-3)17(12-13)14(2)23-20-22-11-10-19(24-20)26-16-7-5-15(21)6-8-16/h4-12,14H,1-3H3,(H,22,23,24)
InChIKeyPGZZERZAGVNAMR-UHFFFAOYSA-N
XLogP4.90
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methylpentanamide
CID 133416657
4-(4-fluorophenoxy)-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 133311843
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-4-methylpyrimidin-2-amine
CID 133304370
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-methylurea
CID 30273311
3-chloro-5-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 107364338
4-(4-fluorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]-N-methylpyrimidin-2-amine
CID 56575410
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
5-chloro-2-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 43438309
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608
1-(2-methoxy-5-methylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 62992014
2,3-difluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]aniline
CID 61075545

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine (CID 56554175) is 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine is COc1ccc(C)cc1C(C)Nc1nccc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine?
The InChIKey is PGZZERZAGVNAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13-4-9-18(25-3)17(12-13)14(2)23-20-22-11-10-19(24-20)26-16-7-5-15(21)6-8-16/h4-12,14H,1-3H3,(H,22,23,24).
What are the key properties of 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine has a molecular weight of 353.40 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 56554175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).