4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C13H22ClN5O — CID 63690083

IUPAC4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCOCCN(CC)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-18(9-10-20-4-2)12-15-11(14)16-13(17-12)19-7-5-6-8-19/h3-10H2,1-2H3
InChIKeyQTTCCIVQFRULEH-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.99
Rot. Bonds7

About 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 63690083) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID63690083
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCOCCN(CC)c1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-18(9-10-20-4-2)12-15-11(14)16-13(17-12)19-7-5-6-8-19/h3-10H2,1-2H3
InChIKeyQTTCCIVQFRULEH-UHFFFAOYSA-N
XLogP1.99
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 63692736
1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79378246
4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine
CID 62863161
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 55124109
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
4-N-(2-ethoxyethyl)-2-N,4-N-dimethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 81064691
4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 64596823
6-chloro-2-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80809255
1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]-3-methoxypropan-2-ol
CID 62863261

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 63690083) is 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCOCCN(CC)c1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is QTTCCIVQFRULEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-18(9-10-20-4-2)12-15-11(14)16-13(17-12)19-7-5-6-8-19/h3-10H2,1-2H3.
What are the key properties of 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63690083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).