6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine

C11H12FN3 — CID 70853631

IUPAC6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine
SMILESNC1=NC(F)NC(Cc2ccccc2)=C1
InChIInChI=1S/C11H12FN3/c12-11-14-9(7-10(13)15-11)6-8-4-2-1-3-5-8/h1-5,7,11,14H,6H2,(H2,13,15)
InChIKeyLRRNYKGXZPOOMQ-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.33
Rot. Bonds2

About 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine

6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine (PubChem CID 70853631) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine
PubChem CID70853631
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine
SMILESNC1=NC(F)NC(Cc2ccccc2)=C1
InChIInChI=1S/C11H12FN3/c12-11-14-9(7-10(13)15-11)6-8-4-2-1-3-5-8/h1-5,7,11,14H,6H2,(H2,13,15)
InChIKeyLRRNYKGXZPOOMQ-UHFFFAOYSA-N
XLogP1.33
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine?
The IUPAC name of 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine (CID 70853631) is 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine.
What is the SMILES notation for 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine?
The canonical SMILES for 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine is NC1=NC(F)NC(Cc2ccccc2)=C1.
What is the InChIKey of 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine?
The InChIKey is LRRNYKGXZPOOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-11-14-9(7-10(13)15-11)6-8-4-2-1-3-5-8/h1-5,7,11,14H,6H2,(H2,13,15).
What are the key properties of 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine?
6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine has a molecular weight of 205.24 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-fluoro-1,2-dihydropyrimidin-4-amine is sourced from PubChem (CID 70853631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).