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

C11H18ClN5O2 — CID 106197165

IUPAC4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOC(CNc1nc(Cl)nc(N2CCCC2)n1)OC
InChIInChI=1S/C11H18ClN5O2/c1-18-8(19-2)7-13-10-14-9(12)15-11(16-10)17-5-3-4-6-17/h8H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyBZQBTULGLMXLLH-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.16
Rot. Bonds6

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

4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 106197165) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID106197165
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCOC(CNc1nc(Cl)nc(N2CCCC2)n1)OC
InChIInChI=1S/C11H18ClN5O2/c1-18-8(19-2)7-13-10-14-9(12)15-11(16-10)17-5-3-4-6-17/h8H,3-7H2,1-2H3,(H,13,14,15,16)
InChIKeyBZQBTULGLMXLLH-UHFFFAOYSA-N
XLogP1.16
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-chloro-N-(2,2-dimethoxyethyl)-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

4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106197141
4-chloro-N-(2,2-difluoroethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 115408246
6-chloro-2-N-(2,2-dimethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 122714726
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-1-cyclopropylethanol
CID 63297460
4-chloro-N-(2-ethylhexyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 107817609
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
N-but-2-ynyl-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 114156794
1-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106257269
N-(2-butoxyethyl)-4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 62863300
4-chloro-N-(3-methylbut-2-enyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 106197256
2-[2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62864714
N-(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-N',N'-diethylethane-1,2-diamine
CID 62870216

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 106197165) is 4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is COC(CNc1nc(Cl)nc(N2CCCC2)n1)OC.
What is the InChIKey of 4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is BZQBTULGLMXLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-18-8(19-2)7-13-10-14-9(12)15-11(16-10)17-5-3-4-6-17/h8H,3-7H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 287.75 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-dimethoxyethyl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 106197165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).