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

C14H24ClN5O — CID 115361856

IUPAC[1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
SMILESCCN(CC)c1nc(Cl)nc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-20(4-2)13-18-11(15)17-12(19-13)16-9-14(10-21)7-5-6-8-14/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyGWNSMKSCQOPXEX-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.34
Rot. Bonds7

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

[1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol (PubChem CID 115361856) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is [1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
PubChem CID115361856
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name[1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol
SMILESCCN(CC)c1nc(Cl)nc(NCC2(CO)CCCC2)n1
InChIInChI=1S/C14H24ClN5O/c1-3-20(4-2)13-18-11(15)17-12(19-13)16-9-14(10-21)7-5-6-8-14/h21H,3-10H2,1-2H3,(H,16,17,18,19)
InChIKeyGWNSMKSCQOPXEX-UHFFFAOYSA-N
XLogP2.34
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.34
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]cyclopentyl]methanol?
The IUPAC name of [1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol (CID 115361856) is [1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol is CCN(CC)c1nc(Cl)nc(NCC2(CO)CCCC2)n1.
What is the InChIKey of [1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
The InChIKey is GWNSMKSCQOPXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-3-20(4-2)13-18-11(15)17-12(19-13)16-9-14(10-21)7-5-6-8-14/h21H,3-10H2,1-2H3,(H,16,17,18,19).
What are the key properties of [1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol?
[1-[[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclopentyl]methanol has a molecular weight of 313.83 g/mol, XLogP of 2.34, 7 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]cyclopentyl]methanol is sourced from PubChem (CID 115361856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).