2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol

C13H20ClN5O — CID 102865870

IUPAC2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
SMILESOCCN(c1nc(Cl)nc(N2CCCC2)n1)C1CCC1
InChIInChI=1S/C13H20ClN5O/c14-11-15-12(18-6-1-2-7-18)17-13(16-11)19(8-9-20)10-4-3-5-10/h10,20H,1-9H2
InChIKeyVFGVGNZHYGHPPL-UHFFFAOYSA-N
MW297.79 g/mol
LogP1.48
Rot. Bonds5

About 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol

2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol (PubChem CID 102865870) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
PubChem CID102865870
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
SMILESOCCN(c1nc(Cl)nc(N2CCCC2)n1)C1CCC1
InChIInChI=1S/C13H20ClN5O/c14-11-15-12(18-6-1-2-7-18)17-13(16-11)19(8-9-20)10-4-3-5-10/h10,20H,1-9H2
InChIKeyVFGVGNZHYGHPPL-UHFFFAOYSA-N
XLogP1.48
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol with MolForge

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Related Compounds

2-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol
CID 102865890
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]ethanol
CID 80810678
3-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclopropylamino]propanenitrile
CID 62862736
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]ethanol
CID 55124109
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-cyclobutylamino]ethanol
CID 102865899
3-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
CID 102865831
4-chloro-N-(cyclobutylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62865237
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-cyclohexylamino]ethanol
CID 80811349
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80825594

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol (CID 102865870) is 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol is OCCN(c1nc(Cl)nc(N2CCCC2)n1)C1CCC1.
What is the InChIKey of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol?
The InChIKey is VFGVGNZHYGHPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O/c14-11-15-12(18-6-1-2-7-18)17-13(16-11)19(8-9-20)10-4-3-5-10/h10,20H,1-9H2.
What are the key properties of 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol?
2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol has a molecular weight of 297.79 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102865870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).