4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine

C18H32N4 — CID 135271021

IUPAC4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCC1CCCCC1
InChIInChI=1S/C18H32N4/c1-3-4-13-20-17-16(14(2)21-18(19)22-17)12-8-11-15-9-6-5-7-10-15/h15H,3-13H2,1-2H3,(H3,19,20,21,22)
InChIKeyGHGJYWLBQJVEOA-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.48
Rot. Bonds8

About 4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine

4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 135271021) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine
PubChem CID135271021
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCC1CCCCC1
InChIInChI=1S/C18H32N4/c1-3-4-13-20-17-16(14(2)21-18(19)22-17)12-8-11-15-9-6-5-7-10-15/h15H,3-13H2,1-2H3,(H3,19,20,21,22)
InChIKeyGHGJYWLBQJVEOA-UHFFFAOYSA-N
XLogP4.48
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.48
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-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine (CID 135271021) is 4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCCC1CCCCC1.
What is the InChIKey of 4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is GHGJYWLBQJVEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-3-4-13-20-17-16(14(2)21-18(19)22-17)12-8-11-15-9-6-5-7-10-15/h15H,3-13H2,1-2H3,(H3,19,20,21,22).
What are the key properties of 4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine?
4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 304.48 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-5-(3-cyclohexylpropyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 135271021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).