4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine

C21H22FN5O2 — CID 19153728

IUPAC4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N
InChIInChI=1S/C21H22FN5O2/c1-28-17-4-2-3-5-18(17)29-21-19(23)20(24-14-25-21)27-12-10-26(11-13-27)16-8-6-15(22)7-9-16/h2-9,14H,10-13,23H2,1H3
InChIKeyGDZVNPXDDMAIPR-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.33
Rot. Bonds5

About 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine

4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine (PubChem CID 19153728) has the molecular formula C21H22FN5O2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
PubChem CID19153728
Molecular FormulaC21H22FN5O2
Molecular Weight395.44 g/mol
Exact Mass395.18
IUPAC Name4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
SMILESCOc1ccccc1Oc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N
InChIInChI=1S/C21H22FN5O2/c1-28-17-4-2-3-5-18(17)29-21-19(23)20(24-14-25-21)27-12-10-26(11-13-27)16-8-6-15(22)7-9-16/h2-9,14H,10-13,23H2,1H3
InChIKeyGDZVNPXDDMAIPR-UHFFFAOYSA-N
XLogP3.33
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methoxyphenoxy)-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19139037
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
CID 19152575
4-(4-ethylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19138506
4-(2-methoxyphenoxy)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140409
4-(4-benzylpiperazin-1-yl)-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19139386
6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19137206
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine
CID 19153651
4-N-[(4-fluorophenyl)methyl]-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 19139013
4-(2-methoxyphenoxy)-6-(2-methylpiperidin-1-yl)pyrimidin-5-amine
CID 19140241
6-[4-(4-fluorophenyl)piperazin-1-yl]-4-N-(2-methylphenyl)pyrimidine-4,5-diamine
CID 19147855
4-naphthalen-1-yloxy-6-piperidin-1-ylpyrimidin-5-amine
CID 22541377

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine (CID 19153728) is 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine is COc1ccccc1Oc1ncnc(N2CCN(c3ccc(F)cc3)CC2)c1N.
What is the InChIKey of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine?
The InChIKey is GDZVNPXDDMAIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O2/c1-28-17-4-2-3-5-18(17)29-21-19(23)20(24-14-25-21)27-12-10-26(11-13-27)16-8-6-15(22)7-9-16/h2-9,14H,10-13,23H2,1H3.
What are the key properties of 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine?
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine has a molecular weight of 395.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-methoxyphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 19153728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).