5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine

C16H14BrN3 — CID 66341940

IUPAC5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
SMILESCCN(c1ncncc1Br)c1cccc2ccccc12
InChIInChI=1S/C16H14BrN3/c1-2-20(16-14(17)10-18-11-19-16)15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,2H2,1H3
InChIKeyMONXBMBEFCOFSY-UHFFFAOYSA-N
MW328.21 g/mol
LogP4.55
Rot. Bonds3

About 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine

5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine (PubChem CID 66341940) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
PubChem CID66341940
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
SMILESCCN(c1ncncc1Br)c1cccc2ccccc12
InChIInChI=1S/C16H14BrN3/c1-2-20(16-14(17)10-18-11-19-16)15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,2H2,1H3
InChIKeyMONXBMBEFCOFSY-UHFFFAOYSA-N
XLogP4.55
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 114870225
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734
4-N,6-N-diethyl-4-N-naphthalen-1-yl-5-nitro-6-N-phenylpyrimidine-4,6-diamine
CID 23478158
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
6-ethoxy-N-ethyl-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 23484492
2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796277
N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine
CID 115416248
4-N-ethyl-6-(4-methylphenyl)sulfanyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 22545836
4-N,6-N-diethyl-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23484351
2-N-ethyl-6-N-methyl-2-N-naphthalen-1-ylpyrazine-2,6-diamine
CID 80756634
6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796276
5-bromo-N-(2-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66317935

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine (CID 66341940) is 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine is CCN(c1ncncc1Br)c1cccc2ccccc12.
What is the InChIKey of 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine?
The InChIKey is MONXBMBEFCOFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-2-20(16-14(17)10-18-11-19-16)15-9-5-7-12-6-3-4-8-13(12)15/h3-11H,2H2,1H3.
What are the key properties of 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine?
5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine has a molecular weight of 328.21 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine is sourced from PubChem (CID 66341940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).