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

C14H27N5 — CID 135271029

IUPAC5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCCCN
InChIInChI=1S/C14H27N5/c1-3-4-10-17-13-12(8-6-5-7-9-15)11(2)18-14(16)19-13/h3-10,15H2,1-2H3,(H3,16,17,18,19)
InChIKeyOCQPVZSXIRIRFD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.25
Rot. Bonds9

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

5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine (PubChem CID 135271029) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine
PubChem CID135271029
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine
SMILESCCCCNc1nc(N)nc(C)c1CCCCCN
InChIInChI=1S/C14H27N5/c1-3-4-10-17-13-12(8-6-5-7-9-15)11(2)18-14(16)19-13/h3-10,15H2,1-2H3,(H3,16,17,18,19)
InChIKeyOCQPVZSXIRIRFD-UHFFFAOYSA-N
XLogP2.25
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.25
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 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine (CID 135271029) is 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine is CCCCNc1nc(N)nc(C)c1CCCCCN.
What is the InChIKey of 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine?
The InChIKey is OCQPVZSXIRIRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-3-4-10-17-13-12(8-6-5-7-9-15)11(2)18-14(16)19-13/h3-10,15H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine?
5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.25, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 135271029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).