5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine

C16H14BrN3O — CID 66297989

IUPAC5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2c(OC)ccc3ccccc23)ncc1Br
InChIInChI=1S/C16H14BrN3O/c1-18-15-12(17)9-19-16(20-15)14-11-6-4-3-5-10(11)7-8-13(14)21-2/h3-9H,1-2H3,(H,18,19,20)
InChIKeyMFIAANIEBZKREA-UHFFFAOYSA-N
MW344.21 g/mol
LogP4.11
Rot. Bonds3

About 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine

5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine (PubChem CID 66297989) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine
PubChem CID66297989
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC Name5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2c(OC)ccc3ccccc23)ncc1Br
InChIInChI=1S/C16H14BrN3O/c1-18-15-12(17)9-19-16(20-15)14-11-6-4-3-5-10(11)7-8-13(14)21-2/h3-9H,1-2H3,(H,18,19,20)
InChIKeyMFIAANIEBZKREA-UHFFFAOYSA-N
XLogP4.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine (CID 66297989) is 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine is CNc1nc(-c2c(OC)ccc3ccccc23)ncc1Br.
What is the InChIKey of 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine?
The InChIKey is MFIAANIEBZKREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c1-18-15-12(17)9-19-16(20-15)14-11-6-4-3-5-10(11)7-8-13(14)21-2/h3-9H,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine?
5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine has a molecular weight of 344.21 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methoxynaphthalen-1-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66297989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).