4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine

C19H20N6O — CID 19152572

IUPAC4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H20N6O/c20-17-18(22-14-23-19(17)26-15-6-2-1-3-7-15)25-12-10-24(11-13-25)16-8-4-5-9-21-16/h1-9,14H,10-13,20H2
InChIKeyGTKIJGOZEPCREP-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.57
Rot. Bonds4

About 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine

4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 19152572) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID19152572
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
SMILESNc1c(Oc2ccccc2)ncnc1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H20N6O/c20-17-18(22-14-23-19(17)26-15-6-2-1-3-7-15)25-12-10-24(11-13-25)16-8-4-5-9-21-16/h1-9,14H,10-13,20H2
InChIKeyGTKIJGOZEPCREP-UHFFFAOYSA-N
XLogP2.57
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methylphenoxy)-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19152632
4-[4-(4-fluorophenyl)piperazin-1-yl]-6-phenoxypyrimidin-5-amine
CID 19152575
6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4,5-diamine
CID 19137203
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
4-(4-methylphenoxy)-6-(4-phenylpiperazin-1-yl)pyrimidin-5-amine
CID 19138635
4-(2-methylquinolin-8-yl)oxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19142004
4-(4-benzylpiperidin-1-yl)-6-phenoxypyrimidin-5-amine
CID 19139509
4-(azepan-1-yl)-6-naphthalen-2-yloxypyrimidin-5-amine
CID 22543614
2-[4-(5-amino-6-pyridin-3-yloxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 19140705
4-(4-methylphenoxy)-6-pyrrolidin-1-ylpyrimidin-5-amine
CID 19137368
4-imidazol-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine
CID 19153617
4-(4-bromophenoxy)-6-piperidin-1-ylpyrimidin-5-amine
CID 19137603

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine (CID 19152572) is 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine is Nc1c(Oc2ccccc2)ncnc1N1CCN(c2ccccn2)CC1.
What is the InChIKey of 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is GTKIJGOZEPCREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c20-17-18(22-14-23-19(17)26-15-6-2-1-3-7-15)25-12-10-24(11-13-25)16-8-4-5-9-21-16/h1-9,14H,10-13,20H2.
What are the key properties of 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine?
4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 348.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 19152572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).