4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine

C14H24N4O — CID 19134953

IUPAC4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine
SMILESCCCCNc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C14H24N4O/c1-2-3-9-16-13-12(15)14(18-10-17-13)19-11-7-5-4-6-8-11/h10-11H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyFLSNUONRFIOMSH-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.98
Rot. Bonds6

About 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine

4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine (PubChem CID 19134953) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine
PubChem CID19134953
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine
SMILESCCCCNc1ncnc(OC2CCCCC2)c1N
InChIInChI=1S/C14H24N4O/c1-2-3-9-16-13-12(15)14(18-10-17-13)19-11-7-5-4-6-8-11/h10-11H,2-9,15H2,1H3,(H,16,17,18)
InChIKeyFLSNUONRFIOMSH-UHFFFAOYSA-N
XLogP2.98
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine (CID 19134953) is 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine is CCCCNc1ncnc(OC2CCCCC2)c1N.
What is the InChIKey of 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine?
The InChIKey is FLSNUONRFIOMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-3-9-16-13-12(15)14(18-10-17-13)19-11-7-5-4-6-8-11/h10-11H,2-9,15H2,1H3,(H,16,17,18).
What are the key properties of 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine?
4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine has a molecular weight of 264.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-6-cyclohexyloxypyrimidine-4,5-diamine is sourced from PubChem (CID 19134953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).