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

C14H29Cl2N5 — CID 155512682

IUPAC5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
SMILESCCCCNc1nc(N)nc(C)c1CCCCCN.Cl.Cl
InChIInChI=1S/C14H27N5.2ClH/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);2*1H
InChIKeyZEDCEUVYXHQUPH-UHFFFAOYSA-N
MW338.33 g/mol
LogP3.09
Rot. Bonds9

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

5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride (PubChem CID 155512682) has the molecular formula C14H29Cl2N5 and a molecular weight of 338.33 g/mol. Its IUPAC name is 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
PubChem CID155512682
Molecular FormulaC14H29Cl2N5
Molecular Weight338.33 g/mol
Exact Mass337.18
IUPAC Name5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
SMILESCCCCNc1nc(N)nc(C)c1CCCCCN.Cl.Cl
InChIInChI=1S/C14H27N5.2ClH/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);2*1H
InChIKeyZEDCEUVYXHQUPH-UHFFFAOYSA-N
XLogP3.09
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 53.09
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;dihydrochloride?
The IUPAC name of 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride (CID 155512682) is 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride is CCCCNc1nc(N)nc(C)c1CCCCCN.Cl.Cl.
What is the InChIKey of 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is ZEDCEUVYXHQUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5.2ClH/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);2*1H.
What are the key properties of 5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride?
5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 338.33 g/mol, XLogP of 3.09, 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;dihydrochloride is sourced from PubChem (CID 155512682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).