2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine

C16H16N4 — CID 116796277

IUPAC2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
SMILESCCN(c1nccc(N)n1)c1cccc2ccccc12
InChIInChI=1S/C16H16N4/c1-2-20(16-18-11-10-15(17)19-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3,(H2,17,18,19)
InChIKeyLJXBKWALLJFPEF-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.37
Rot. Bonds3

About 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine

2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine (PubChem CID 116796277) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
PubChem CID116796277
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
SMILESCCN(c1nccc(N)n1)c1cccc2ccccc12
InChIInChI=1S/C16H16N4/c1-2-20(16-18-11-10-15(17)19-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3,(H2,17,18,19)
InChIKeyLJXBKWALLJFPEF-UHFFFAOYSA-N
XLogP3.37
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796276
2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 62338500
2-N-ethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 116796498
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734
1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine
CID 28972599
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
2-[ethyl(naphthalen-1-yl)amino]pyridine-3-carboximidamide
CID 43823181
N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine
CID 115416248
5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 66341940
4-N-ethyl-6-N-(3-methyl-2-pyridinyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545791
5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 114870225

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine (CID 116796277) is 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine is CCN(c1nccc(N)n1)c1cccc2ccccc12.
What is the InChIKey of 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine?
The InChIKey is LJXBKWALLJFPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-2-20(16-18-11-10-15(17)19-16)14-9-5-7-12-6-3-4-8-13(12)14/h3-11H,2H2,1H3,(H2,17,18,19).
What are the key properties of 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine?
2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 116796277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).