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

C16H15BrN4 — CID 116796276

IUPAC6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
SMILESCCN(c1nc(N)cc(Br)n1)c1cccc2ccccc12
InChIInChI=1S/C16H15BrN4/c1-2-21(16-19-14(17)10-15(18)20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3,(H2,18,19,20)
InChIKeyPOYNBYUCZKFJLU-UHFFFAOYSA-N
MW343.23 g/mol
LogP4.13
Rot. Bonds3

About 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine

6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine (PubChem CID 116796276) has the molecular formula C16H15BrN4 and a molecular weight of 343.23 g/mol. Its IUPAC name is 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
PubChem CID116796276
Molecular FormulaC16H15BrN4
Molecular Weight343.23 g/mol
Exact Mass342.05
IUPAC Name6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
SMILESCCN(c1nc(N)cc(Br)n1)c1cccc2ccccc12
InChIInChI=1S/C16H15BrN4/c1-2-21(16-19-14(17)10-15(18)20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3,(H2,18,19,20)
InChIKeyPOYNBYUCZKFJLU-UHFFFAOYSA-N
XLogP4.13
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796277
6-bromo-2-N-ethyl-2-N-methylpyrimidine-2,4-diamine
CID 116796401
1-N-ethyl-2-fluoro-1-N-naphthalen-1-ylbenzene-1,4-diamine
CID 28972599
5-bromo-N-ethyl-4-methyl-N-naphthalen-1-ylpyridin-2-amine
CID 114870225
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
2-N-benzyl-6-bromo-2-N-methylpyrimidine-2,4-diamine
CID 116796269
5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 66341940
6-bromo-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 116796338
2-chloro-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 62338500
1-ethyl-1-naphthalen-1-ylhydrazine
CID 55252593
N-ethyl-6-fluoro-N-naphthalen-1-ylpyrimidin-4-amine
CID 115416248
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine (CID 116796276) is 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine is CCN(c1nc(N)cc(Br)n1)c1cccc2ccccc12.
What is the InChIKey of 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine?
The InChIKey is POYNBYUCZKFJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4/c1-2-21(16-19-14(17)10-15(18)20-16)13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,2H2,1H3,(H2,18,19,20).
What are the key properties of 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine?
6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine has a molecular weight of 343.23 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 116796276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).