4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine

C13H9ClFN5 — CID 82459730

IUPAC4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine
SMILESFc1ccccc1CNc1nc(Cl)c2nccnc2n1
InChIInChI=1S/C13H9ClFN5/c14-11-10-12(17-6-5-16-10)20-13(19-11)18-7-8-3-1-2-4-9(8)15/h1-6H,7H2,(H,17,18,19,20)
InChIKeyYRPKZNKSNXUTCA-UHFFFAOYSA-N
MW289.70 g/mol
LogP2.82
Rot. Bonds3

About 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine

4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine (PubChem CID 82459730) has the molecular formula C13H9ClFN5 and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine
PubChem CID82459730
Molecular FormulaC13H9ClFN5
Molecular Weight289.70 g/mol
Exact Mass289.05
IUPAC Name4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine
SMILESFc1ccccc1CNc1nc(Cl)c2nccnc2n1
InChIInChI=1S/C13H9ClFN5/c14-11-10-12(17-6-5-16-10)20-13(19-11)18-7-8-3-1-2-4-9(8)15/h1-6H,7H2,(H,17,18,19,20)
InChIKeyYRPKZNKSNXUTCA-UHFFFAOYSA-N
XLogP2.82
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine?
The IUPAC name of 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine (CID 82459730) is 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine.
What is the SMILES notation for 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine?
The canonical SMILES for 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine is Fc1ccccc1CNc1nc(Cl)c2nccnc2n1.
What is the InChIKey of 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine?
The InChIKey is YRPKZNKSNXUTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN5/c14-11-10-12(17-6-5-16-10)20-13(19-11)18-7-8-3-1-2-4-9(8)15/h1-6H,7H2,(H,17,18,19,20).
What are the key properties of 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine?
4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine has a molecular weight of 289.70 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2-fluorophenyl)methyl]pteridin-2-amine is sourced from PubChem (CID 82459730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).