1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol

C13H22ClN5O — CID 65108866

IUPAC1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-9-13(20)7-5-6-8-13/h20H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyGUWWKEXINGNJIU-UHFFFAOYSA-N
MW299.81 g/mol
LogP2.09
Rot. Bonds6

About 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol

1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 65108866) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
PubChem CID65108866
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
SMILESCCN(CC)c1nc(Cl)nc(NCC2(O)CCCC2)n1
InChIInChI=1S/C13H22ClN5O/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-9-13(20)7-5-6-8-13/h20H,3-9H2,1-2H3,(H,15,16,17,18)
InChIKeyGUWWKEXINGNJIU-UHFFFAOYSA-N
XLogP2.09
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol (CID 65108866) is 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol is CCN(CC)c1nc(Cl)nc(NCC2(O)CCCC2)n1.
What is the InChIKey of 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is GUWWKEXINGNJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-9-13(20)7-5-6-8-13/h20H,3-9H2,1-2H3,(H,15,16,17,18).
What are the key properties of 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol?
1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 299.81 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).