2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine

C15H10ClFN4O — CID 87608860

IUPAC2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C15H10ClFN4O/c16-15-19-9-13(17)14(21-15)20-10-1-3-11(4-2-10)22-12-5-7-18-8-6-12/h1-9H,(H,19,20,21)
InChIKeyKCRSPMUZGOWFJZ-UHFFFAOYSA-N
MW316.72 g/mol
LogP4.20
Rot. Bonds4

About 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine

2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine (PubChem CID 87608860) has the molecular formula C15H10ClFN4O and a molecular weight of 316.72 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine
PubChem CID87608860
Molecular FormulaC15H10ClFN4O
Molecular Weight316.72 g/mol
Exact Mass316.05
IUPAC Name2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine
SMILESFc1cnc(Cl)nc1Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C15H10ClFN4O/c16-15-19-9-13(17)14(21-15)20-10-1-3-11(4-2-10)22-12-5-7-18-8-6-12/h1-9H,(H,19,20,21)
InChIKeyKCRSPMUZGOWFJZ-UHFFFAOYSA-N
XLogP4.20
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.72
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine (CID 87608860) is 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine is Fc1cnc(Cl)nc1Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is KCRSPMUZGOWFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O/c16-15-19-9-13(17)14(21-15)20-10-1-3-11(4-2-10)22-12-5-7-18-8-6-12/h1-9H,(H,19,20,21).
What are the key properties of 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine?
2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 316.72 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-(4-pyridin-4-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 87608860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).