4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine

C18H32N4 — CID 46225998

IUPAC4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCCCCNc1nc(C)cc(NC2CCCCC2)n1
InChIInChI=1S/C18H32N4/c1-3-4-5-6-10-13-19-18-20-15(2)14-17(22-18)21-16-11-8-7-9-12-16/h14,16H,3-13H2,1-2H3,(H2,19,20,21,22)
InChIKeyONHVQNKXEUXRSF-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.91
Rot. Bonds9

About 4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine

4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine (PubChem CID 46225998) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine
PubChem CID46225998
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC Name4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCCCCNc1nc(C)cc(NC2CCCCC2)n1
InChIInChI=1S/C18H32N4/c1-3-4-5-6-10-13-19-18-20-15(2)14-17(22-18)21-16-11-8-7-9-12-16/h14,16H,3-13H2,1-2H3,(H2,19,20,21,22)
InChIKeyONHVQNKXEUXRSF-UHFFFAOYSA-N
XLogP4.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.91
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-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine (CID 46225998) is 4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine is CCCCCCCNc1nc(C)cc(NC2CCCCC2)n1.
What is the InChIKey of 4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is ONHVQNKXEUXRSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4/c1-3-4-5-6-10-13-19-18-20-15(2)14-17(22-18)21-16-11-8-7-9-12-16/h14,16H,3-13H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine?
4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 304.48 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 46225998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).