4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C16H31N7O2 — CID 23816459

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C16H31N7O2/c1-13(2)19-15-20-14(18-6-10-25-12-11-24-9-5-17)21-16(22-15)23-7-3-4-8-23/h13H,3-12,17H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyDJTGIVVBIBVBGV-UHFFFAOYSA-N
MW353.47 g/mol
LogP0.70
Rot. Bonds12

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23816459) has the molecular formula C16H31N7O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID23816459
Molecular FormulaC16H31N7O2
Molecular Weight353.47 g/mol
Exact Mass353.25
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C16H31N7O2/c1-13(2)19-15-20-14(18-6-10-25-12-11-24-9-5-17)21-16(22-15)23-7-3-4-8-23/h13H,3-12,17H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyDJTGIVVBIBVBGV-UHFFFAOYSA-N
XLogP0.70
TPSA110.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-pyrrolidin-1-yl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80818936
2-N-[2-(2,2-difluoroethoxy)ethyl]-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 105922364
2-N-[2-(2,2-difluoroethoxy)ethyl]-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 105922365
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopropyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23872956
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23929046
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 24040090
2-N,4-N,6-N-tris[3-[2-[2-[2-(dibutylamino)ethoxy]ethoxy]ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841537
2-N,2-N,4-N,4-N-tetrakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 58868228
N-butyl-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 351359
2-[[4-(Propan-2-ylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]ethanol
CID 6488393
6-N-(3-morpholin-4-ylpropyl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 7589303
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23758424

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23816459) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CC(C)Nc1nc(NCCOCCOCCN)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is DJTGIVVBIBVBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O2/c1-13(2)19-15-20-14(18-6-10-25-12-11-24-9-5-17)21-16(22-15)23-7-3-4-8-23/h13H,3-12,17H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 353.47 g/mol, XLogP of 0.70, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23816459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).