2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol

C7H13N5O2 — CID 80772588

IUPAC2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol
SMILESCOc1nc(N)nc(N(C)CCO)n1
InChIInChI=1S/C7H13N5O2/c1-12(3-4-13)6-9-5(8)10-7(11-6)14-2/h13H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyBKDGDZCUKCDMQP-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.11
Rot. Bonds4

About 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol

2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol (PubChem CID 80772588) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol
PubChem CID80772588
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol
SMILESCOc1nc(N)nc(N(C)CCO)n1
InChIInChI=1S/C7H13N5O2/c1-12(3-4-13)6-9-5(8)10-7(11-6)14-2/h13H,3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyBKDGDZCUKCDMQP-UHFFFAOYSA-N
XLogP-1.11
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol (CID 80772588) is 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol is COc1nc(N)nc(N(C)CCO)n1.
What is the InChIKey of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol?
The InChIKey is BKDGDZCUKCDMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c1-12(3-4-13)6-9-5(8)10-7(11-6)14-2/h13H,3-4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol?
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol has a molecular weight of 199.21 g/mol, XLogP of -1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-methylamino]ethanol is sourced from PubChem (CID 80772588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).