2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol

C10H18N4O3 — CID 114243853

IUPAC2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol
SMILESCOc1c(N)ncnc1N(C)CCOCCO
InChIInChI=1S/C10H18N4O3/c1-14(3-5-17-6-4-15)10-8(16-2)9(11)12-7-13-10/h7,15H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyQDFAKLRPCIPWKN-UHFFFAOYSA-N
MW242.28 g/mol
LogP-0.49
Rot. Bonds7

About 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol

2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol (PubChem CID 114243853) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol
PubChem CID114243853
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol
SMILESCOc1c(N)ncnc1N(C)CCOCCO
InChIInChI=1S/C10H18N4O3/c1-14(3-5-17-6-4-15)10-8(16-2)9(11)12-7-13-10/h7,15H,3-6H2,1-2H3,(H2,11,12,13)
InChIKeyQDFAKLRPCIPWKN-UHFFFAOYSA-N
XLogP-0.49
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol (CID 114243853) is 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol is COc1c(N)ncnc1N(C)CCOCCO.
What is the InChIKey of 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol?
The InChIKey is QDFAKLRPCIPWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-14(3-5-17-6-4-15)10-8(16-2)9(11)12-7-13-10/h7,15H,3-6H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol?
2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol has a molecular weight of 242.28 g/mol, XLogP of -0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-amino-5-methoxypyrimidin-4-yl)-methylamino]ethoxy]ethanol is sourced from PubChem (CID 114243853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).