3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one

C10H17N3O2 — CID 63071210

IUPAC3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one
SMILESCCOC(CN)Cn1cnc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-15-9(5-11)6-13-7-12-8(2)4-10(13)14/h4,7,9H,3,5-6,11H2,1-2H3
InChIKeyTVHASIFDBJMKPR-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.08
Rot. Bonds5

About 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one

3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one (PubChem CID 63071210) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one
PubChem CID63071210
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one
SMILESCCOC(CN)Cn1cnc(C)cc1=O
InChIInChI=1S/C10H17N3O2/c1-3-15-9(5-11)6-13-7-12-8(2)4-10(13)14/h4,7,9H,3,5-6,11H2,1-2H3
InChIKeyTVHASIFDBJMKPR-UHFFFAOYSA-N
XLogP-0.08
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one (CID 63071210) is 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one is CCOC(CN)Cn1cnc(C)cc1=O.
What is the InChIKey of 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one?
The InChIKey is TVHASIFDBJMKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-3-15-9(5-11)6-13-7-12-8(2)4-10(13)14/h4,7,9H,3,5-6,11H2,1-2H3.
What are the key properties of 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one?
3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-ethoxypropyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 63071210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).