5-bromo-N-naphthalen-1-ylpyrimidin-2-amine

C14H10BrN3 — CID 63874030

IUPAC5-bromo-N-naphthalen-1-ylpyrimidin-2-amine
SMILESBrc1cnc(Nc2cccc3ccccc23)nc1
InChIInChI=1S/C14H10BrN3/c15-11-8-16-14(17-9-11)18-13-7-3-5-10-4-1-2-6-12(10)13/h1-9H,(H,16,17,18)
InChIKeyHLVFFYVLVYOJGA-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.14
Rot. Bonds2

About 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine

5-bromo-N-naphthalen-1-ylpyrimidin-2-amine (PubChem CID 63874030) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-naphthalen-1-ylpyrimidin-2-amine
PubChem CID63874030
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC Name5-bromo-N-naphthalen-1-ylpyrimidin-2-amine
SMILESBrc1cnc(Nc2cccc3ccccc23)nc1
InChIInChI=1S/C14H10BrN3/c15-11-8-16-14(17-9-11)18-13-7-3-5-10-4-1-2-6-12(10)13/h1-9H,(H,16,17,18)
InChIKeyHLVFFYVLVYOJGA-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine (CID 63874030) is 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine is Brc1cnc(Nc2cccc3ccccc23)nc1.
What is the InChIKey of 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine?
The InChIKey is HLVFFYVLVYOJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-11-8-16-14(17-9-11)18-13-7-3-5-10-4-1-2-6-12(10)13/h1-9H,(H,16,17,18).
What are the key properties of 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine?
5-bromo-N-naphthalen-1-ylpyrimidin-2-amine has a molecular weight of 300.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-naphthalen-1-ylpyrimidin-2-amine is sourced from PubChem (CID 63874030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).