4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine

C13H24N4 — CID 135271003

IUPAC4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCC
InChIInChI=1S/C13H24N4/c1-4-6-8-11-10(3)16-13(14)17-12(11)15-9-7-5-2/h4-9H2,1-3H3,(H3,14,15,16,17)
InChIKeyWSTNWJZVMKIDIY-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.92
Rot. Bonds7

About 4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine

4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine (PubChem CID 135271003) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
PubChem CID135271003
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCC
InChIInChI=1S/C13H24N4/c1-4-6-8-11-10(3)16-13(14)17-12(11)15-9-7-5-2/h4-9H2,1-3H3,(H3,14,15,16,17)
InChIKeyWSTNWJZVMKIDIY-UHFFFAOYSA-N
XLogP2.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,5-dibutyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine (CID 135271003) is 4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCCC.
What is the InChIKey of 4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is WSTNWJZVMKIDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-6-8-11-10(3)16-13(14)17-12(11)15-9-7-5-2/h4-9H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine?
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 135271003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).