4-chloro-6-phenoxypyrimidin-2-amine

C10H8ClN3O — CID 753797

IUPAC4-chloro-6-phenoxypyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccccc2)n1
InChIInChI=1S/C10H8ClN3O/c11-8-6-9(14-10(12)13-8)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyWCDHWNAYCBWKKW-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.50
Rot. Bonds2

About 4-chloro-6-phenoxypyrimidin-2-amine

4-chloro-6-phenoxypyrimidin-2-amine (PubChem CID 753797) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 4-chloro-6-phenoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-phenoxypyrimidin-2-amine
PubChem CID753797
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name4-chloro-6-phenoxypyrimidin-2-amine
SMILESNc1nc(Cl)cc(Oc2ccccc2)n1
InChIInChI=1S/C10H8ClN3O/c11-8-6-9(14-10(12)13-8)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14)
InChIKeyWCDHWNAYCBWKKW-UHFFFAOYSA-N
XLogP2.50
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-phenoxypyrimidin-2-amine?
The IUPAC name of 4-chloro-6-phenoxypyrimidin-2-amine (CID 753797) is 4-chloro-6-phenoxypyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-phenoxypyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-phenoxypyrimidin-2-amine is Nc1nc(Cl)cc(Oc2ccccc2)n1.
What is the InChIKey of 4-chloro-6-phenoxypyrimidin-2-amine?
The InChIKey is WCDHWNAYCBWKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c11-8-6-9(14-10(12)13-8)15-7-4-2-1-3-5-7/h1-6H,(H2,12,13,14).
What are the key properties of 4-chloro-6-phenoxypyrimidin-2-amine?
4-chloro-6-phenoxypyrimidin-2-amine has a molecular weight of 221.65 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-phenoxypyrimidin-2-amine is sourced from PubChem (CID 753797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).