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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Related Compounds

6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835
2-chloro-4-N-[(2-fluorophenyl)methyl]pyridine-3,4-diamine
CID 10399928
4-N-[2-(4-chlorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891261
2-N-[(2-fluorophenyl)methyl]-4-N-[(4-fluorophenyl)methyl]-6-(2,2,2-trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 58039396
2,6-dichloro-N-[(2-fluorophenyl)methyl]aniline
CID 65469329
4-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80777252
4-N-[2-(2-fluorophenyl)ethyl]-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891248
2-chloro-N-[(2-fluorophenyl)methyl]-5-methylpyridin-3-amine
CID 114050780
4-N-(2,4-dichlorophenyl)-2-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891344
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132
6-chloro-N-[(2-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271586
2-N-(3-chlorophenyl)-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891158

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).