2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine

C11H8ClF2N3 — CID 79081337

IUPAC2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(Cl)ncc2F)cc1
InChIInChI=1S/C11H8ClF2N3/c12-11-16-6-9(14)10(17-11)15-5-7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,15,16,17)
InChIKeyBEWUGCBTVVAJFI-UHFFFAOYSA-N
MW255.66 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine (PubChem CID 79081337) has the molecular formula C11H8ClF2N3 and a molecular weight of 255.66 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
PubChem CID79081337
Molecular FormulaC11H8ClF2N3
Molecular Weight255.66 g/mol
Exact Mass255.04
IUPAC Name2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine
SMILESFc1ccc(CNc2nc(Cl)ncc2F)cc1
InChIInChI=1S/C11H8ClF2N3/c12-11-16-6-9(14)10(17-11)15-5-7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,15,16,17)
InChIKeyBEWUGCBTVVAJFI-UHFFFAOYSA-N
XLogP3.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.66
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine (CID 79081337) is 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine is Fc1ccc(CNc2nc(Cl)ncc2F)cc1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
The InChIKey is BEWUGCBTVVAJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF2N3/c12-11-16-6-9(14)10(17-11)15-5-7-1-3-8(13)4-2-7/h1-4,6H,5H2,(H,15,16,17).
What are the key properties of 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine has a molecular weight of 255.66 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79081337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).