4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol

C18H24N6O — CID 42926264

IUPAC4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H24N6O/c1-12(16-20-17(19)22-18(21-16)23(2)3)24-10-8-14(9-11-24)13-4-6-15(25)7-5-13/h4-8,12,25H,9-11H2,1-3H3,(H2,19,20,21,22)
InChIKeyAKNYFBADHUBHCU-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.08
Rot. Bonds4

About 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol

4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol (PubChem CID 42926264) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol
PubChem CID42926264
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC Name4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESCC(c1nc(N)nc(N(C)C)n1)N1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C18H24N6O/c1-12(16-20-17(19)22-18(21-16)23(2)3)24-10-8-14(9-11-24)13-4-6-15(25)7-5-13/h4-8,12,25H,9-11H2,1-3H3,(H2,19,20,21,22)
InChIKeyAKNYFBADHUBHCU-UHFFFAOYSA-N
XLogP2.08
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
The IUPAC name of 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol (CID 42926264) is 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol.
What is the SMILES notation for 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
The canonical SMILES for 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol is CC(c1nc(N)nc(N(C)C)n1)N1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
The InChIKey is AKNYFBADHUBHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-12(16-20-17(19)22-18(21-16)23(2)3)24-10-8-14(9-11-24)13-4-6-15(25)7-5-13/h4-8,12,25H,9-11H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol has a molecular weight of 340.43 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]-3,6-dihydro-2H-pyridin-4-yl]phenol is sourced from PubChem (CID 42926264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).