4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine

C15H17F2N5O — CID 83283669

IUPAC4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncnc(Oc3ccc(F)cc3F)c2N)CC1
InChIInChI=1S/C15H17F2N5O/c1-21-4-6-22(7-5-21)14-13(18)15(20-9-19-14)23-12-3-2-10(16)8-11(12)17/h2-3,8-9H,4-7,18H2,1H3
InChIKeyCYIJEPDVHGIEJF-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.88
Rot. Bonds3

About 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine

4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 83283669) has the molecular formula C15H17F2N5O and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID83283669
Molecular FormulaC15H17F2N5O
Molecular Weight321.33 g/mol
Exact Mass321.14
IUPAC Name4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncnc(Oc3ccc(F)cc3F)c2N)CC1
InChIInChI=1S/C15H17F2N5O/c1-21-4-6-22(7-5-21)14-13(18)15(20-9-19-14)23-12-3-2-10(16)8-11(12)17/h2-3,8-9H,4-7,18H2,1H3
InChIKeyCYIJEPDVHGIEJF-UHFFFAOYSA-N
XLogP1.88
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine (CID 83283669) is 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine is CN1CCN(c2ncnc(Oc3ccc(F)cc3F)c2N)CC1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is CYIJEPDVHGIEJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N5O/c1-21-4-6-22(7-5-21)14-13(18)15(20-9-19-14)23-12-3-2-10(16)8-11(12)17/h2-3,8-9H,4-7,18H2,1H3.
What are the key properties of 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 321.33 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 83283669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).