2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine

C9H13ClN4O — CID 62857036

IUPAC2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C9H13ClN4O/c1-2-15-9-12-7(10)11-8(13-9)14-5-3-4-6-14/h2-6H2,1H3
InChIKeyOBIWHHXDPFRVNU-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.52
Rot. Bonds3

About 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 62857036) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID62857036
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(N2CCCC2)n1
InChIInChI=1S/C9H13ClN4O/c1-2-15-9-12-7(10)11-8(13-9)14-5-3-4-6-14/h2-6H2,1H3
InChIKeyOBIWHHXDPFRVNU-UHFFFAOYSA-N
XLogP1.52
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine 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

{[4,6-Di(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]oxy}acetonitrile
CID 4020907
2-Chloro-4-(3,3-difluoropyrrolidin-1-yl)-6-methoxy-1,3,5-triazine
CID 148646907
2-Chloro-4-ethoxy-6-piperidin-1-yl-1,3,5-triazine
CID 706525
2-Methoxy-4,6-bis(pyrrolidin-1-yl)-1,3,5-triazine
CID 4544332
2-Chloro-4-methoxy-6-(pyrrolidin-1-yl)-1,3,5-triazine
CID 713803
2-Chloro-4-di-n-propylamino-6-methoxy-sym-triazine
CID 62858664
3-(4,6-Dichloro-1,3,5-triazin-2-yl)-2,2-dimethyl-1,3-oxazolidine
CID 124019185
2-Methoxy-4,6-bis(1-methylpyrrolidin-1-ium-1-yl)-1,3,5-triazine
CID 162403950
2,4-Dichloro-6-(pyrrolidin-1-ium-1-ylidenemethoxy)-1,3,5-triazine
CID 175667800
4-chloro-6-ethoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62857416
4-chloro-6-propoxy-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62863789
4-chloro-N-ethyl-6-propoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62864485

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine (CID 62857036) is 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine is CCOc1nc(Cl)nc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is OBIWHHXDPFRVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c1-2-15-9-12-7(10)11-8(13-9)14-5-3-4-6-14/h2-6H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 228.68 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 62857036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).