5-dodecylpyrimidine-2,4,6-triamine

C16H31N5 — CID 3023448

IUPAC5-dodecylpyrimidine-2,4,6-triamine
SMILESCCCCCCCCCCCCc1c(N)nc(N)nc1N
InChIInChI=1S/C16H31N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)20-16(19)21-15(13)18/h2-12H2,1H3,(H6,17,18,19,20,21)
InChIKeyPEPWLMWLJXTXFM-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.69
Rot. Bonds11

About 5-dodecylpyrimidine-2,4,6-triamine

5-dodecylpyrimidine-2,4,6-triamine (PubChem CID 3023448) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-dodecylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name5-dodecylpyrimidine-2,4,6-triamine
PubChem CID3023448
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name5-dodecylpyrimidine-2,4,6-triamine
SMILESCCCCCCCCCCCCc1c(N)nc(N)nc1N
InChIInChI=1S/C16H31N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)20-16(19)21-15(13)18/h2-12H2,1H3,(H6,17,18,19,20,21)
InChIKeyPEPWLMWLJXTXFM-UHFFFAOYSA-N
XLogP3.69
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-dodecylpyrimidine-2,4,6-triamine?
The IUPAC name of 5-dodecylpyrimidine-2,4,6-triamine (CID 3023448) is 5-dodecylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 5-dodecylpyrimidine-2,4,6-triamine?
The canonical SMILES for 5-dodecylpyrimidine-2,4,6-triamine is CCCCCCCCCCCCc1c(N)nc(N)nc1N.
What is the InChIKey of 5-dodecylpyrimidine-2,4,6-triamine?
The InChIKey is PEPWLMWLJXTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(17)20-16(19)21-15(13)18/h2-12H2,1H3,(H6,17,18,19,20,21).
What are the key properties of 5-dodecylpyrimidine-2,4,6-triamine?
5-dodecylpyrimidine-2,4,6-triamine has a molecular weight of 293.46 g/mol, XLogP of 3.69, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dodecylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 3023448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).