4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine

C17H13ClFN3O — CID 75359612

IUPAC4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3c(F)cccc3Cl)nc(N)n2)cc1
InChIInChI=1S/C17H13ClFN3O/c1-23-11-7-5-10(6-8-11)14-9-15(22-17(20)21-14)16-12(18)3-2-4-13(16)19/h2-9H,1H3,(H2,20,21,22)
InChIKeyPKMGTBGOXRMZAX-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.19
Rot. Bonds3

About 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine

4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 75359612) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID75359612
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC Name4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(-c3c(F)cccc3Cl)nc(N)n2)cc1
InChIInChI=1S/C17H13ClFN3O/c1-23-11-7-5-10(6-8-11)14-9-15(22-17(20)21-14)16-12(18)3-2-4-13(16)19/h2-9H,1H3,(H2,20,21,22)
InChIKeyPKMGTBGOXRMZAX-UHFFFAOYSA-N
XLogP4.19
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine (CID 75359612) is 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cc(-c3c(F)cccc3Cl)nc(N)n2)cc1.
What is the InChIKey of 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is PKMGTBGOXRMZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-23-11-7-5-10(6-8-11)14-9-15(22-17(20)21-14)16-12(18)3-2-4-13(16)19/h2-9H,1H3,(H2,20,21,22).
What are the key properties of 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine?
4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 329.76 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-fluorophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 75359612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).