4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol

C17H26N6O — CID 117093007

IUPAC4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESCCNc1nc(NCCc2ccc(O)cc2)nc(N(CC)CC)n1
InChIInChI=1S/C17H26N6O/c1-4-18-15-20-16(22-17(21-15)23(5-2)6-3)19-12-11-13-7-9-14(24)10-8-13/h7-10,24H,4-6,11-12H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyCEWJYVXJBHNJKG-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.51
Rot. Bonds9

About 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol

4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol (PubChem CID 117093007) has the molecular formula C17H26N6O and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
PubChem CID117093007
Molecular FormulaC17H26N6O
Molecular Weight330.44 g/mol
Exact Mass330.22
IUPAC Name4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol
SMILESCCNc1nc(NCCc2ccc(O)cc2)nc(N(CC)CC)n1
InChIInChI=1S/C17H26N6O/c1-4-18-15-20-16(22-17(21-15)23(5-2)6-3)19-12-11-13-7-9-14(24)10-8-13/h7-10,24H,4-6,11-12H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyCEWJYVXJBHNJKG-UHFFFAOYSA-N
XLogP2.51
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol (CID 117093007) is 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol is CCNc1nc(NCCc2ccc(O)cc2)nc(N(CC)CC)n1.
What is the InChIKey of 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol?
The InChIKey is CEWJYVXJBHNJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O/c1-4-18-15-20-16(22-17(21-15)23(5-2)6-3)19-12-11-13-7-9-14(24)10-8-13/h7-10,24H,4-6,11-12H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol?
4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol has a molecular weight of 330.44 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]ethyl]phenol is sourced from PubChem (CID 117093007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).