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

C16H29N7O2 — CID 23984655

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C16H29N7O2/c1-2-6-18-14-20-15(19-7-11-25-13-12-24-10-5-17)22-16(21-14)23-8-3-4-9-23/h2H,1,3-13,17H2,(H2,18,19,20,21,22)
InChIKeyKXPYZODLLKVLRZ-UHFFFAOYSA-N
MW351.46 g/mol
LogP0.47
Rot. Bonds13

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23984655) has the molecular formula C16H29N7O2 and a molecular weight of 351.46 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID23984655
Molecular FormulaC16H29N7O2
Molecular Weight351.46 g/mol
Exact Mass351.24
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C16H29N7O2/c1-2-6-18-14-20-15(19-7-11-25-13-12-24-10-5-17)22-16(21-14)23-8-3-4-9-23/h2H,1,3-13,17H2,(H2,18,19,20,21,22)
InChIKeyKXPYZODLLKVLRZ-UHFFFAOYSA-N
XLogP0.47
TPSA110.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-{[4-(Allylamino)-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino}ethanol
CID 2178367
6-(3-ethoxypyrrolidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 56628927
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23758424
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23758426
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23758491
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23758539
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
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23816463
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23816537
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23872953
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N,4-N-dibutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23873058
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 23900905

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-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-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23984655) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-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-prop-2-enyl-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-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCCOCCOCCN)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is KXPYZODLLKVLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7O2/c1-2-6-18-14-20-15(19-7-11-25-13-12-24-10-5-17)22-16(21-14)23-8-3-4-9-23/h2H,1,3-13,17H2,(H2,18,19,20,21,22).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 351.46 g/mol, XLogP of 0.47, 13 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-prop-2-enyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23984655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).