4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine

C15H27N5 — CID 100996947

IUPAC4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine
SMILESCCCCCNc1nc(N)cc(NC2CCCCC2)n1
InChIInChI=1S/C15H27N5/c1-2-3-7-10-17-15-19-13(16)11-14(20-15)18-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3,(H4,16,17,18,19,20)
InChIKeyIVBHZKAWWMJYPF-UHFFFAOYSA-N
MW277.42 g/mol
LogP3.41
Rot. Bonds7

About 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine

4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine (PubChem CID 100996947) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine
PubChem CID100996947
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine
SMILESCCCCCNc1nc(N)cc(NC2CCCCC2)n1
InChIInChI=1S/C15H27N5/c1-2-3-7-10-17-15-19-13(16)11-14(20-15)18-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3,(H4,16,17,18,19,20)
InChIKeyIVBHZKAWWMJYPF-UHFFFAOYSA-N
XLogP3.41
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 53.41
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 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine (CID 100996947) is 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine is CCCCCNc1nc(N)cc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine?
The InChIKey is IVBHZKAWWMJYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-2-3-7-10-17-15-19-13(16)11-14(20-15)18-12-8-5-4-6-9-12/h11-12H,2-10H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine?
4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine has a molecular weight of 277.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-pentylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 100996947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).