4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

C17H19N5 — CID 22545734

IUPAC4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCCN(c1ncnc(NC)c1N)c1cccc2ccccc12
InChIInChI=1S/C17H19N5/c1-3-22(17-15(18)16(19-2)20-11-21-17)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3,18H2,1-2H3,(H,19,20,21)
InChIKeyOHDPQZFIOMWMND-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.41
Rot. Bonds4

About 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (PubChem CID 22545734) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
PubChem CID22545734
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC Name4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCCN(c1ncnc(NC)c1N)c1cccc2ccccc12
InChIInChI=1S/C17H19N5/c1-3-22(17-15(18)16(19-2)20-11-21-17)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3,18H2,1-2H3,(H,19,20,21)
InChIKeyOHDPQZFIOMWMND-UHFFFAOYSA-N
XLogP3.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-N-(3-methyl-2-pyridinyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545791
6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545833
6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545724
4-N-ethyl-6-N-(2-methylquinolin-5-yl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545924
2-methylpropyl 4-[[5-amino-6-[ethyl(naphthalen-1-yl)amino]pyrimidin-4-yl]amino]benzoate
CID 22545832
4-N-ethyl-6-(4-methylphenyl)sulfanyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 22545836
6-(benzotriazol-1-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 22545928
4-N,6-N-diethyl-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23484351
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,6-diamine
CID 80756513
5-bromo-N-ethyl-N-naphthalen-1-ylpyrimidin-4-amine
CID 66341940
4-N-ethyl-6-N-(2-ethylphenyl)-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23482579
2-N-ethyl-2-N-naphthalen-1-ylpyrimidine-2,4-diamine
CID 116796277

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (CID 22545734) is 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is CCN(c1ncnc(NC)c1N)c1cccc2ccccc12.
What is the InChIKey of 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The InChIKey is OHDPQZFIOMWMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-3-22(17-15(18)16(19-2)20-11-21-17)14-10-6-8-12-7-4-5-9-13(12)14/h4-11H,3,18H2,1-2H3,(H,19,20,21).
What are the key properties of 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine has a molecular weight of 293.37 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).