4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine

C14H15ClFN3O — CID 162485475

IUPAC4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cc(OC(C)C)c(F)cc2Cl)nc(N)n1
InChIInChI=1S/C14H15ClFN3O/c1-7(2)20-13-5-9(10(15)6-11(13)16)12-4-8(3)18-14(17)19-12/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyIZMLLGCKYDMIMR-UHFFFAOYSA-N
MW295.75 g/mol
LogP3.61
Rot. Bonds3

About 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine

4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine (PubChem CID 162485475) has the molecular formula C14H15ClFN3O and a molecular weight of 295.75 g/mol. Its IUPAC name is 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine
PubChem CID162485475
Molecular FormulaC14H15ClFN3O
Molecular Weight295.75 g/mol
Exact Mass295.09
IUPAC Name4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine
SMILESCc1cc(-c2cc(OC(C)C)c(F)cc2Cl)nc(N)n1
InChIInChI=1S/C14H15ClFN3O/c1-7(2)20-13-5-9(10(15)6-11(13)16)12-4-8(3)18-14(17)19-12/h4-7H,1-3H3,(H2,17,18,19)
InChIKeyIZMLLGCKYDMIMR-UHFFFAOYSA-N
XLogP3.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.75
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine?
The IUPAC name of 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine (CID 162485475) is 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine is Cc1cc(-c2cc(OC(C)C)c(F)cc2Cl)nc(N)n1.
What is the InChIKey of 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine?
The InChIKey is IZMLLGCKYDMIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c1-7(2)20-13-5-9(10(15)6-11(13)16)12-4-8(3)18-14(17)19-12/h4-7H,1-3H3,(H2,17,18,19).
What are the key properties of 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine?
4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine has a molecular weight of 295.75 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-fluoro-5-propan-2-yloxyphenyl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 162485475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).