4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine

C20H40N6 — CID 19142423

IUPAC4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine
SMILESCCCCCCCCCCCCCCCCNc1ncnc(NN)c1N
InChIInChI=1S/C20H40N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-18(21)20(26-22)25-17-24-19/h17H,2-16,21-22H2,1H3,(H2,23,24,25,26)
InChIKeyDSYIXOBMQBUDIR-UHFFFAOYSA-N
MW364.58 g/mol
LogP5.24
Rot. Bonds17

About 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine

4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine (PubChem CID 19142423) has the molecular formula C20H40N6 and a molecular weight of 364.58 g/mol. Its IUPAC name is 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine
PubChem CID19142423
Molecular FormulaC20H40N6
Molecular Weight364.58 g/mol
Exact Mass364.33
IUPAC Name4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine
SMILESCCCCCCCCCCCCCCCCNc1ncnc(NN)c1N
InChIInChI=1S/C20H40N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-18(21)20(26-22)25-17-24-19/h17H,2-16,21-22H2,1H3,(H2,23,24,25,26)
InChIKeyDSYIXOBMQBUDIR-UHFFFAOYSA-N
XLogP5.24
TPSA101.88 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.58
LogP ≤ 55.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-N-hexadecyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142422
4-N-(4-fluorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142409
4-N-(3,5-dichlorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22544934
6-N-hexadecyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,5,6-triamine
CID 19142491
4-N-hexadecyl-6-phenylsulfanylpyrimidine-4,5-diamine
CID 19142416
6-hydrazinyl-4-N-(2-methoxyethyl)pyrimidine-4,5-diamine
CID 19150351
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
4-N-(5-chloro-2-pyridinyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142392
6-N-hexadecyl-4-N-naphthalen-1-ylpyrimidine-4,5,6-triamine
CID 19142376
4-N-(2,3-dichlorophenyl)-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 19142390
6-(4-chlorophenyl)sulfanyl-4-N-hexadecylpyrimidine-4,5-diamine
CID 19136540
4-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-hexadecylpyrimidine-4,5,6-triamine
CID 22541634

Frequently Asked Questions

What is the IUPAC name of 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine (CID 19142423) is 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine is CCCCCCCCCCCCCCCCNc1ncnc(NN)c1N.
What is the InChIKey of 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine?
The InChIKey is DSYIXOBMQBUDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-19-18(21)20(26-22)25-17-24-19/h17H,2-16,21-22H2,1H3,(H2,23,24,25,26).
What are the key properties of 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine?
4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine has a molecular weight of 364.58 g/mol, XLogP of 5.24, 17 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexadecyl-6-hydrazinylpyrimidine-4,5-diamine is sourced from PubChem (CID 19142423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).