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

C19H18FN3O2 — CID 56553691

IUPAC4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
SMILESCOc1ccccc1CCNc1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O2/c1-24-17-5-3-2-4-14(17)10-12-21-19-22-13-11-18(23-19)25-16-8-6-15(20)7-9-16/h2-9,11,13H,10,12H2,1H3,(H,21,22,23)
InChIKeyYZSFYBSYBOVGRM-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.07
Rot. Bonds7

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

4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine (PubChem CID 56553691) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
PubChem CID56553691
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
SMILESCOc1ccccc1CCNc1nccc(Oc2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN3O2/c1-24-17-5-3-2-4-14(17)10-12-21-19-22-13-11-18(23-19)25-16-8-6-15(20)7-9-16/h2-9,11,13H,10,12H2,1H3,(H,21,22,23)
InChIKeyYZSFYBSYBOVGRM-UHFFFAOYSA-N
XLogP4.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 56553337
4-(4-fluorophenoxy)-N-[2-(1H-indol-3-yl)ethyl]pyrimidin-2-amine
CID 56553608
2-N-[2-(2-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892117
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548
4-N-(3-fluorophenyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895100
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308462
4-(4-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80869601
4-N-(2-methoxyethyl)-2-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112885690
4-(4-fluorophenoxy)-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrimidin-2-amine
CID 56553986
2-[(4-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305508
2-N-[2-(2-methoxyphenyl)ethyl]-4-N,4-N-dipropylpyrimidine-2,4-diamine
CID 112895036
1-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine
CID 111340721

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine (CID 56553691) is 4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine is COc1ccccc1CCNc1nccc(Oc2ccc(F)cc2)n1.
What is the InChIKey of 4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine?
The InChIKey is YZSFYBSYBOVGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-24-17-5-3-2-4-14(17)10-12-21-19-22-13-11-18(23-19)25-16-8-6-15(20)7-9-16/h2-9,11,13H,10,12H2,1H3,(H,21,22,23).
What are the key properties of 4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine?
4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine has a molecular weight of 339.37 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 56553691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).