2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine

C9H15N3O2 — CID 55262615

IUPAC2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine
SMILESCOC(OC)c1ccnc(CCN)n1
InChIInChI=1S/C9H15N3O2/c1-13-9(14-2)7-4-6-11-8(12-7)3-5-10/h4,6,9H,3,5,10H2,1-2H3
InChIKeyBKQMVGNJLAMOIB-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.27
Rot. Bonds5

About 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine

2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine (PubChem CID 55262615) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine
PubChem CID55262615
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine
SMILESCOC(OC)c1ccnc(CCN)n1
InChIInChI=1S/C9H15N3O2/c1-13-9(14-2)7-4-6-11-8(12-7)3-5-10/h4,6,9H,3,5,10H2,1-2H3
InChIKeyBKQMVGNJLAMOIB-UHFFFAOYSA-N
XLogP0.27
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 ≤ 50.27
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine (CID 55262615) is 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine is COC(OC)c1ccnc(CCN)n1.
What is the InChIKey of 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine?
The InChIKey is BKQMVGNJLAMOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-13-9(14-2)7-4-6-11-8(12-7)3-5-10/h4,6,9H,3,5,10H2,1-2H3.
What are the key properties of 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine?
2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine has a molecular weight of 197.24 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethoxymethyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 55262615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).