4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine

C15H11ClFN5O — CID 19153068

IUPAC4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(F)c(Cl)c2)ncnc1Oc1cccnc1
InChIInChI=1S/C15H11ClFN5O/c16-11-6-9(3-4-12(11)17)22-14-13(18)15(21-8-20-14)23-10-2-1-5-19-7-10/h1-8H,18H2,(H,20,21,22)
InChIKeyCPAZCKJTQXHMDR-UHFFFAOYSA-N
MW331.74 g/mol
LogP3.78
Rot. Bonds4

About 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine

4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine (PubChem CID 19153068) has the molecular formula C15H11ClFN5O and a molecular weight of 331.74 g/mol. Its IUPAC name is 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
PubChem CID19153068
Molecular FormulaC15H11ClFN5O
Molecular Weight331.74 g/mol
Exact Mass331.06
IUPAC Name4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine
SMILESNc1c(Nc2ccc(F)c(Cl)c2)ncnc1Oc1cccnc1
InChIInChI=1S/C15H11ClFN5O/c16-11-6-9(3-4-12(11)17)22-14-13(18)15(21-8-20-14)23-10-2-1-5-19-7-10/h1-8H,18H2,(H,20,21,22)
InChIKeyCPAZCKJTQXHMDR-UHFFFAOYSA-N
XLogP3.78
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.74
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine (CID 19153068) is 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine is Nc1c(Nc2ccc(F)c(Cl)c2)ncnc1Oc1cccnc1.
What is the InChIKey of 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
The InChIKey is CPAZCKJTQXHMDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5O/c16-11-6-9(3-4-12(11)17)22-14-13(18)15(21-8-20-14)23-10-2-1-5-19-7-10/h1-8H,18H2,(H,20,21,22).
What are the key properties of 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine?
4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine has a molecular weight of 331.74 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-fluorophenyl)-6-pyridin-3-yloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19153068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).