4-(dimethoxymethyl)pyrimidin-2-amine

C7H11N3O2 — CID 4913032

IUPAC4-(dimethoxymethyl)pyrimidin-2-amine
SMILESCOC(OC)c1ccnc(N)n1
InChIInChI=1S/C7H11N3O2/c1-11-6(12-2)5-3-4-9-7(8)10-5/h3-4,6H,1-2H3,(H2,8,9,10)
InChIKeyOQINWXZQCAIVNK-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.35
Rot. Bonds3

About 4-(dimethoxymethyl)pyrimidin-2-amine

4-(dimethoxymethyl)pyrimidin-2-amine (PubChem CID 4913032) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-(dimethoxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(dimethoxymethyl)pyrimidin-2-amine
PubChem CID4913032
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-(dimethoxymethyl)pyrimidin-2-amine
SMILESCOC(OC)c1ccnc(N)n1
InChIInChI=1S/C7H11N3O2/c1-11-6(12-2)5-3-4-9-7(8)10-5/h3-4,6H,1-2H3,(H2,8,9,10)
InChIKeyOQINWXZQCAIVNK-UHFFFAOYSA-N
XLogP0.35
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.35
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 4-(dimethoxymethyl)pyrimidin-2-amine?
The IUPAC name of 4-(dimethoxymethyl)pyrimidin-2-amine (CID 4913032) is 4-(dimethoxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(dimethoxymethyl)pyrimidin-2-amine?
The canonical SMILES for 4-(dimethoxymethyl)pyrimidin-2-amine is COC(OC)c1ccnc(N)n1.
What is the InChIKey of 4-(dimethoxymethyl)pyrimidin-2-amine?
The InChIKey is OQINWXZQCAIVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-11-6(12-2)5-3-4-9-7(8)10-5/h3-4,6H,1-2H3,(H2,8,9,10).
What are the key properties of 4-(dimethoxymethyl)pyrimidin-2-amine?
4-(dimethoxymethyl)pyrimidin-2-amine has a molecular weight of 169.18 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethoxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 4913032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).