6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine

C16H12ClN3O — CID 80866737

IUPAC6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine
SMILESNc1cc(Oc2ccc(-c3ccccc3)cc2Cl)ncn1
InChIInChI=1S/C16H12ClN3O/c17-13-8-12(11-4-2-1-3-5-11)6-7-14(13)21-16-9-15(18)19-10-20-16/h1-10H,(H2,18,19,20)
InChIKeyXJZQHAJZHHNXAL-UHFFFAOYSA-N
MW297.75 g/mol
LogP4.17
Rot. Bonds3

About 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine

6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine (PubChem CID 80866737) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine
PubChem CID80866737
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine
SMILESNc1cc(Oc2ccc(-c3ccccc3)cc2Cl)ncn1
InChIInChI=1S/C16H12ClN3O/c17-13-8-12(11-4-2-1-3-5-11)6-7-14(13)21-16-9-15(18)19-10-20-16/h1-10H,(H2,18,19,20)
InChIKeyXJZQHAJZHHNXAL-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 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine?
The IUPAC name of 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine (CID 80866737) is 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine?
The canonical SMILES for 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine is Nc1cc(Oc2ccc(-c3ccccc3)cc2Cl)ncn1.
What is the InChIKey of 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine?
The InChIKey is XJZQHAJZHHNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-13-8-12(11-4-2-1-3-5-11)6-7-14(13)21-16-9-15(18)19-10-20-16/h1-10H,(H2,18,19,20).
What are the key properties of 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine?
6-(2-chloro-4-phenylphenoxy)pyrimidin-4-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 6-(2-chloro-4-phenylphenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80866737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).