N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine

C21H38N6 — CID 67535108

IUPACN-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C21H38N6/c1-3-25(4-2)13-7-5-6-12-22-19-18-20(26-14-8-9-15-26)24-21(23-19)27-16-10-11-17-27/h18H,3-17H2,1-2H3,(H,22,23,24)
InChIKeyGAFDGPLSMNTEAK-UHFFFAOYSA-N
MW374.58 g/mol
LogP3.60
Rot. Bonds11

About N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine

N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine (PubChem CID 67535108) has the molecular formula C21H38N6 and a molecular weight of 374.58 g/mol. Its IUPAC name is N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine.

Molecular Properties

Compound NameN-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine
PubChem CID67535108
Molecular FormulaC21H38N6
Molecular Weight374.58 g/mol
Exact Mass374.32
IUPAC NameN-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine
SMILESCCN(CC)CCCCCNc1cc(N2CCCC2)nc(N2CCCC2)n1
InChIInChI=1S/C21H38N6/c1-3-25(4-2)13-7-5-6-12-22-19-18-20(26-14-8-9-15-26)24-21(23-19)27-16-10-11-17-27/h18H,3-17H2,1-2H3,(H,22,23,24)
InChIKeyGAFDGPLSMNTEAK-UHFFFAOYSA-N
XLogP3.60
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.58
LogP ≤ 53.60
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 N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine?
The IUPAC name of N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine (CID 67535108) is N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine.
What is the SMILES notation for N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine?
The canonical SMILES for N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine is CCN(CC)CCCCCNc1cc(N2CCCC2)nc(N2CCCC2)n1.
What is the InChIKey of N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine?
The InChIKey is GAFDGPLSMNTEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6/c1-3-25(4-2)13-7-5-6-12-22-19-18-20(26-14-8-9-15-26)24-21(23-19)27-16-10-11-17-27/h18H,3-17H2,1-2H3,(H,22,23,24).
What are the key properties of N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine?
N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine has a molecular weight of 374.58 g/mol, XLogP of 3.60, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)-N',N'-diethylpentane-1,5-diamine is sourced from PubChem (CID 67535108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).