4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine

C8H14N4O — CID 21149902

IUPAC4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine
SMILESCC(Oc1ccnc(N)n1)N(C)C
InChIInChI=1S/C8H14N4O/c1-6(12(2)3)13-7-4-5-10-8(9)11-7/h4-6H,1-3H3,(H2,9,10,11)
InChIKeyHRYQCWGUCFAYBT-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.35
Rot. Bonds3

About 4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine

4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine (PubChem CID 21149902) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine
PubChem CID21149902
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine
SMILESCC(Oc1ccnc(N)n1)N(C)C
InChIInChI=1S/C8H14N4O/c1-6(12(2)3)13-7-4-5-10-8(9)11-7/h4-6H,1-3H3,(H2,9,10,11)
InChIKeyHRYQCWGUCFAYBT-UHFFFAOYSA-N
XLogP0.35
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
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-[1-(dimethylamino)ethoxy]pyrimidin-2-amine?
The IUPAC name of 4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine (CID 21149902) is 4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine?
The canonical SMILES for 4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine is CC(Oc1ccnc(N)n1)N(C)C.
What is the InChIKey of 4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine?
The InChIKey is HRYQCWGUCFAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(12(2)3)13-7-4-5-10-8(9)11-7/h4-6H,1-3H3,(H2,9,10,11).
What are the key properties of 4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine?
4-[1-(dimethylamino)ethoxy]pyrimidin-2-amine has a molecular weight of 182.23 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-[1-(dimethylamino)ethoxy]pyrimidin-2-amine is sourced from PubChem (CID 21149902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).