5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine

C16H12ClN3O — CID 80866706

IUPAC5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C16H12ClN3O/c17-13-10-19-16(18)20-15(13)21-14-9-5-4-8-12(14)11-6-2-1-3-7-11/h1-10H,(H2,18,19,20)
InChIKeyFEKBLPNBWGNMGK-UHFFFAOYSA-N
MW297.75 g/mol
LogP4.17
Rot. Bonds3

About 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine

5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine (PubChem CID 80866706) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine
PubChem CID80866706
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine
SMILESNc1ncc(Cl)c(Oc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C16H12ClN3O/c17-13-10-19-16(18)20-15(13)21-14-9-5-4-8-12(14)11-6-2-1-3-7-11/h1-10H,(H2,18,19,20)
InChIKeyFEKBLPNBWGNMGK-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 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine (CID 80866706) is 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine is Nc1ncc(Cl)c(Oc2ccccc2-c2ccccc2)n1.
What is the InChIKey of 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine?
The InChIKey is FEKBLPNBWGNMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-10-19-16(18)20-15(13)21-14-9-5-4-8-12(14)11-6-2-1-3-7-11/h1-10H,(H2,18,19,20).
What are the key properties of 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine?
5-chloro-4-(2-phenylphenoxy)pyrimidin-2-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 5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine is sourced from PubChem (CID 80866706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).