4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine

C16H12ClN3O — CID 60726811

IUPAC4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H12ClN3O/c17-15-14(18)16(20-10-19-15)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,18H2
InChIKeyLQUXRSVKTDLNCV-UHFFFAOYSA-N
MW297.75 g/mol
LogP4.17
Rot. Bonds3

About 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine

4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine (PubChem CID 60726811) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine
PubChem CID60726811
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H12ClN3O/c17-15-14(18)16(20-10-19-15)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,18H2
InChIKeyLQUXRSVKTDLNCV-UHFFFAOYSA-N
XLogP4.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine (CID 60726811) is 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine is Nc1c(Cl)ncnc1Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine?
The InChIKey is LQUXRSVKTDLNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-15-14(18)16(20-10-19-15)21-13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,18H2.
What are the key properties of 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine?
4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine has a molecular weight of 297.75 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-phenylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 60726811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).