6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

C30H45N5 — CID 19142376

IUPAC6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCCCCCCCCCCCCCCCCNc1ncnc(Nc2cccc3ccccc23)c1N
InChIInChI=1S/C30H45N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-32-29-28(31)30(34-24-33-29)35-27-22-18-20-25-19-15-16-21-26(25)27/h15-16,18-22,24H,2-14,17,23,31H2,1H3,(H2,32,33,34,35)
InChIKeyGHWWCBMYRPQNIU-UHFFFAOYSA-N
MW475.73 g/mol
LogP8.85
Rot. Bonds18

About 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine

6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (PubChem CID 19142376) has the molecular formula C30H45N5 and a molecular weight of 475.73 g/mol. Its IUPAC name is 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
PubChem CID19142376
Molecular FormulaC30H45N5
Molecular Weight475.73 g/mol
Exact Mass475.37
IUPAC Name6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
SMILESCCCCCCCCCCCCCCCCNc1ncnc(Nc2cccc3ccccc23)c1N
InChIInChI=1S/C30H45N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-32-29-28(31)30(34-24-33-29)35-27-22-18-20-25-19-15-16-21-26(25)27/h15-16,18-22,24H,2-14,17,23,31H2,1H3,(H2,32,33,34,35)
InChIKeyGHWWCBMYRPQNIU-UHFFFAOYSA-N
XLogP8.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.73
LogP ≤ 58.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(2,3-dichlorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142390
6-N-butyl-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19134851
6-N-butyl-4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544033
6-hydrazinyl-4-N-naphthalen-1-ylpyrimidine-4,5-diamine
CID 19145042
6-N-butyl-4-N-naphthalen-1-yl-5-nitropyrimidine-4,6-diamine
CID 23486721
N-nonylnaphthalen-1-amine
CID 63488249
N-icosylnaphthalen-1-amine
CID 53260207
4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine
CID 19142423
4-N-(4-fluorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142409
6-N-naphthalen-1-yl-4-N-quinolin-8-ylpyrimidine-4,5,6-triamine
CID 19144720
6-N-naphthalen-1-yl-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19145076
4-N-hexadecyl-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543641

Frequently Asked Questions

What is the IUPAC name of 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine (CID 19142376) is 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is CCCCCCCCCCCCCCCCNc1ncnc(Nc2cccc3ccccc23)c1N.
What is the InChIKey of 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
The InChIKey is GHWWCBMYRPQNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-32-29-28(31)30(34-24-33-29)35-27-22-18-20-25-19-15-16-21-26(25)27/h15-16,18-22,24H,2-14,17,23,31H2,1H3,(H2,32,33,34,35).
What are the key properties of 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine?
6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine has a molecular weight of 475.73 g/mol, XLogP of 8.85, 18 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 19142376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).