2-(diethoxymethyl)pyrimidin-5-amine

C9H15N3O2 — CID 21114546

IUPAC2-(diethoxymethyl)pyrimidin-5-amine
SMILESCCOC(OCC)c1ncc(N)cn1
InChIInChI=1S/C9H15N3O2/c1-3-13-9(14-4-2)8-11-5-7(10)6-12-8/h5-6,9H,3-4,10H2,1-2H3
InChIKeyWJJCXYQMOAIWNE-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.13
Rot. Bonds5

About 2-(diethoxymethyl)pyrimidin-5-amine

2-(diethoxymethyl)pyrimidin-5-amine (PubChem CID 21114546) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(diethoxymethyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(diethoxymethyl)pyrimidin-5-amine
PubChem CID21114546
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(diethoxymethyl)pyrimidin-5-amine
SMILESCCOC(OCC)c1ncc(N)cn1
InChIInChI=1S/C9H15N3O2/c1-3-13-9(14-4-2)8-11-5-7(10)6-12-8/h5-6,9H,3-4,10H2,1-2H3
InChIKeyWJJCXYQMOAIWNE-UHFFFAOYSA-N
XLogP1.13
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

CID 12395471
CID 12395471
CID 10654421
CID 10654421
CID 72207940
CID 72207940
CID 121204937
CID 121204937
CID 146035781
CID 146035781
CID 86181340
CID 86181340
CID 92134711
CID 92134711
CID 103146521
CID 103146521
CID 103146522
CID 103146522
CID 103473333
CID 103473333
CID 103473335
CID 103473335
CID 18616345
CID 18616345

Frequently Asked Questions

What is the IUPAC name of 2-(diethoxymethyl)pyrimidin-5-amine?
The IUPAC name of 2-(diethoxymethyl)pyrimidin-5-amine (CID 21114546) is 2-(diethoxymethyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(diethoxymethyl)pyrimidin-5-amine?
The canonical SMILES for 2-(diethoxymethyl)pyrimidin-5-amine is CCOC(OCC)c1ncc(N)cn1.
What is the InChIKey of 2-(diethoxymethyl)pyrimidin-5-amine?
The InChIKey is WJJCXYQMOAIWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-13-9(14-4-2)8-11-5-7(10)6-12-8/h5-6,9H,3-4,10H2,1-2H3.
What are the key properties of 2-(diethoxymethyl)pyrimidin-5-amine?
2-(diethoxymethyl)pyrimidin-5-amine has a molecular weight of 197.24 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethoxymethyl)pyrimidin-5-amine is sourced from PubChem (CID 21114546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).