5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one

C10H19N5O2 — CID 136999740

IUPAC5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
SMILESCN(C)CCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H19N5O2/c1-15(2)4-6-17-5-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6,11H2,1-2H3,(H2,12,13,14,16)
InChIKeySBMKUHGQIVEBHI-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.66
Rot. Bonds7

About 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one

5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one (PubChem CID 136999740) has the molecular formula C10H19N5O2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
PubChem CID136999740
Molecular FormulaC10H19N5O2
Molecular Weight241.29 g/mol
Exact Mass241.15
IUPAC Name5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one
SMILESCN(C)CCOCCNc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H19N5O2/c1-15(2)4-6-17-5-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6,11H2,1-2H3,(H2,12,13,14,16)
InChIKeySBMKUHGQIVEBHI-UHFFFAOYSA-N
XLogP-0.66
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one (CID 136999740) is 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one is CN(C)CCOCCNc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one?
The InChIKey is SBMKUHGQIVEBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2/c1-15(2)4-6-17-5-3-12-9-8(11)10(16)14-7-13-9/h7H,3-6,11H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one?
5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one has a molecular weight of 241.29 g/mol, XLogP of -0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[2-[2-(dimethylamino)ethoxy]ethylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136999740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).