5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine

C19H18ClFN4O — CID 90310842

IUPAC5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine
SMILESCC(C)(C)c1ccc(-c2cnc(N)c(Cl)c2)c(F)c1Oc1ncccn1
InChIInChI=1S/C19H18ClFN4O/c1-19(2,3)13-6-5-12(11-9-14(20)17(22)25-10-11)15(21)16(13)26-18-23-7-4-8-24-18/h4-10H,1-3H3,(H2,22,25)
InChIKeyHMQYKCCZNLIGTC-UHFFFAOYSA-N
MW372.83 g/mol
LogP5.00
Rot. Bonds3

About 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine

5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine (PubChem CID 90310842) has the molecular formula C19H18ClFN4O and a molecular weight of 372.83 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine
PubChem CID90310842
Molecular FormulaC19H18ClFN4O
Molecular Weight372.83 g/mol
Exact Mass372.12
IUPAC Name5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine
SMILESCC(C)(C)c1ccc(-c2cnc(N)c(Cl)c2)c(F)c1Oc1ncccn1
InChIInChI=1S/C19H18ClFN4O/c1-19(2,3)13-6-5-12(11-9-14(20)17(22)25-10-11)15(21)16(13)26-18-23-7-4-8-24-18/h4-10H,1-3H3,(H2,22,25)
InChIKeyHMQYKCCZNLIGTC-UHFFFAOYSA-N
XLogP5.00
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.83
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine?
The IUPAC name of 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine (CID 90310842) is 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine.
What is the SMILES notation for 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine?
The canonical SMILES for 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine is CC(C)(C)c1ccc(-c2cnc(N)c(Cl)c2)c(F)c1Oc1ncccn1.
What is the InChIKey of 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine?
The InChIKey is HMQYKCCZNLIGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O/c1-19(2,3)13-6-5-12(11-9-14(20)17(22)25-10-11)15(21)16(13)26-18-23-7-4-8-24-18/h4-10H,1-3H3,(H2,22,25).
What are the key properties of 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine?
5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine has a molecular weight of 372.83 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2-fluoro-3-pyrimidin-2-yloxyphenyl)-3-chloropyridin-2-amine is sourced from PubChem (CID 90310842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).