4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine

C15H13ClFN5O — CID 46172740

IUPAC4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine
SMILESCc1cc(Oc2nc(C)nc(Cl)c2N)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H13ClFN5O/c1-8-7-12(22(21-8)11-5-3-10(17)4-6-11)23-15-13(18)14(16)19-9(2)20-15/h3-7H,18H2,1-2H3
InChIKeyDXDUSNHIGKLAIG-UHFFFAOYSA-N
MW333.75 g/mol
LogP3.45
Rot. Bonds3

About 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine

4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine (PubChem CID 46172740) has the molecular formula C15H13ClFN5O and a molecular weight of 333.75 g/mol. Its IUPAC name is 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine
PubChem CID46172740
Molecular FormulaC15H13ClFN5O
Molecular Weight333.75 g/mol
Exact Mass333.08
IUPAC Name4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine
SMILESCc1cc(Oc2nc(C)nc(Cl)c2N)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H13ClFN5O/c1-8-7-12(22(21-8)11-5-3-10(17)4-6-11)23-15-13(18)14(16)19-9(2)20-15/h3-7H,18H2,1-2H3
InChIKeyDXDUSNHIGKLAIG-UHFFFAOYSA-N
XLogP3.45
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine?
The IUPAC name of 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine (CID 46172740) is 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine is Cc1cc(Oc2nc(C)nc(Cl)c2N)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine?
The InChIKey is DXDUSNHIGKLAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN5O/c1-8-7-12(22(21-8)11-5-3-10(17)4-6-11)23-15-13(18)14(16)19-9(2)20-15/h3-7H,18H2,1-2H3.
What are the key properties of 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine?
4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine has a molecular weight of 333.75 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]oxy-2-methylpyrimidin-5-amine is sourced from PubChem (CID 46172740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).