6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

C24H25N5 — CID 22545724

IUPAC6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCCN(c1ncnc(Nc2ccc(C)c(C)c2)c1N)c1cccc2ccccc12
InChIInChI=1S/C24H25N5/c1-4-29(21-11-7-9-18-8-5-6-10-20(18)21)24-22(25)23(26-15-27-24)28-19-13-12-16(2)17(3)14-19/h5-15H,4,25H2,1-3H3,(H,26,27,28)
InChIKeyDFZTVCKYBULCCZ-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.73
Rot. Bonds5

About 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (PubChem CID 22545724) has the molecular formula C24H25N5 and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
PubChem CID22545724
Molecular FormulaC24H25N5
Molecular Weight383.50 g/mol
Exact Mass383.21
IUPAC Name6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCCN(c1ncnc(Nc2ccc(C)c(C)c2)c1N)c1cccc2ccccc12
InChIInChI=1S/C24H25N5/c1-4-29(21-11-7-9-18-8-5-6-10-20(18)21)24-22(25)23(26-15-27-24)28-19-13-12-16(2)17(3)14-19/h5-15H,4,25H2,1-3H3,(H,26,27,28)
InChIKeyDFZTVCKYBULCCZ-UHFFFAOYSA-N
XLogP5.73
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine with MolForge

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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
4-N-ethyl-6-N-methyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545734
6-N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22545833
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
6-N-(3-chloro-4-methylphenyl)-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 22546620
4-N-(3,4-dimethylphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546235
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N-ethyl-6-(4-methylphenyl)sulfanyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 22545836
4-N-ethyl-6-N-(4-fluorophenyl)-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23484446
4-N-ethyl-6-N-(4-fluorophenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539360
4-N-ethyl-6-N-(4-ethylphenyl)-4-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 22539248

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (CID 22545724) is 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is CCN(c1ncnc(Nc2ccc(C)c(C)c2)c1N)c1cccc2ccccc12.
What is the InChIKey of 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The InChIKey is DFZTVCKYBULCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5/c1-4-29(21-11-7-9-18-8-5-6-10-20(18)21)24-22(25)23(26-15-27-24)28-19-13-12-16(2)17(3)14-19/h5-15H,4,25H2,1-3H3,(H,26,27,28).
What are the key properties of 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine has a molecular weight of 383.50 g/mol, XLogP of 5.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-dimethylphenyl)-4-N-ethyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22545724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).