3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol

C14H24ClN5O — CID 62864713

IUPAC3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H24ClN5O/c1-3-19(4-2)13-16-12(15)17-14(18-13)20-9-5-7-11(20)8-6-10-21/h11,21H,3-10H2,1-2H3
InChIKeyNEKFFOKJQVSCPF-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.11
Rot. Bonds7

About 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol

3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol (PubChem CID 62864713) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
PubChem CID62864713
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(N2CCCC2CCCO)n1
InChIInChI=1S/C14H24ClN5O/c1-3-19(4-2)13-16-12(15)17-14(18-13)20-9-5-7-11(20)8-6-10-21/h11,21H,3-10H2,1-2H3
InChIKeyNEKFFOKJQVSCPF-UHFFFAOYSA-N
XLogP2.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol with MolForge

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Related Compounds

[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 62865295
4-N,4-N-diethyl-6-(2-ethylpiperidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80776049
2-N,4-N,4-N-triethyl-6-(2-ethylpyrrolidin-1-yl)-1,3,5-triazine-2,4-diamine
CID 80775342
2-[1-[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]ethanol
CID 80766741
2-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)piperidin-2-yl]ethanol
CID 62870210
3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 66016811
3-[1-[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 80826047
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80935418
3-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 64585862
[4-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-5-methylmorpholin-2-yl]methanol
CID 81197727
4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine
CID 62863161
3-[1-(6-chloropyridazin-3-yl)pyrrolidin-2-yl]propan-1-ol
CID 62468492

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol (CID 62864713) is 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol is CCN(CC)c1nc(Cl)nc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
The InChIKey is NEKFFOKJQVSCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-3-19(4-2)13-16-12(15)17-14(18-13)20-9-5-7-11(20)8-6-10-21/h11,21H,3-10H2,1-2H3.
What are the key properties of 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol?
3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol has a molecular weight of 313.83 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62864713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).