4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine

C14H26N6 — CID 64829856

IUPAC4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCN(CCCCN)CC2)n1
InChIInChI=1S/C14H26N6/c1-18(2)14-16-7-5-13(17-14)20-11-9-19(10-12-20)8-4-3-6-15/h5,7H,3-4,6,8-12,15H2,1-2H3
InChIKeyRKYINRKRMIDKHJ-UHFFFAOYSA-N
MW278.40 g/mol
LogP0.40
Rot. Bonds6

About 4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine

4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine (PubChem CID 64829856) has the molecular formula C14H26N6 and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
PubChem CID64829856
Molecular FormulaC14H26N6
Molecular Weight278.40 g/mol
Exact Mass278.22
IUPAC Name4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(N2CCN(CCCCN)CC2)n1
InChIInChI=1S/C14H26N6/c1-18(2)14-16-7-5-13(17-14)20-11-9-19(10-12-20)8-4-3-6-15/h5,7H,3-4,6,8-12,15H2,1-2H3
InChIKeyRKYINRKRMIDKHJ-UHFFFAOYSA-N
XLogP0.40
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine (CID 64829856) is 4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(N2CCN(CCCCN)CC2)n1.
What is the InChIKey of 4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
The InChIKey is RKYINRKRMIDKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6/c1-18(2)14-16-7-5-13(17-14)20-11-9-19(10-12-20)8-4-3-6-15/h5,7H,3-4,6,8-12,15H2,1-2H3.
What are the key properties of 4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine?
4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine has a molecular weight of 278.40 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminobutyl)piperazin-1-yl]-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64829856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).