2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine

C18H11ClFN5 — CID 53373517

IUPAC2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2cccnc2n1
InChIInChI=1S/C18H11ClFN5/c19-11-3-4-14(20)13(8-11)16-9-15(24-17-5-7-21-10-23-17)12-2-1-6-22-18(12)25-16/h1-10H,(H,21,22,23,24,25)
InChIKeyGRCOAEMKVHMLFN-UHFFFAOYSA-N
MW351.77 g/mol
LogP4.62
Rot. Bonds3

About 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine

2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine (PubChem CID 53373517) has the molecular formula C18H11ClFN5 and a molecular weight of 351.77 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine
PubChem CID53373517
Molecular FormulaC18H11ClFN5
Molecular Weight351.77 g/mol
Exact Mass351.07
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2cccnc2n1
InChIInChI=1S/C18H11ClFN5/c19-11-3-4-14(20)13(8-11)16-9-15(24-17-5-7-21-10-23-17)12-2-1-6-22-18(12)25-16/h1-10H,(H,21,22,23,24,25)
InChIKeyGRCOAEMKVHMLFN-UHFFFAOYSA-N
XLogP4.62
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine (CID 53373517) is 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccncn2)c2cccnc2n1.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine?
The InChIKey is GRCOAEMKVHMLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5/c19-11-3-4-14(20)13(8-11)16-9-15(24-17-5-7-21-10-23-17)12-2-1-6-22-18(12)25-16/h1-10H,(H,21,22,23,24,25).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine has a molecular weight of 351.77 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-pyrimidin-4-yl-1,8-naphthyridin-4-amine is sourced from PubChem (CID 53373517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).