4,6-diethoxypyrimidin-5-amine

C8H13N3O2 — CID 15585365

IUPAC4,6-diethoxypyrimidin-5-amine
SMILESCCOc1ncnc(OCC)c1N
InChIInChI=1S/C8H13N3O2/c1-3-12-7-6(9)8(13-4-2)11-5-10-7/h5H,3-4,9H2,1-2H3
InChIKeyQYIAKLAHIZCCEQ-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.86
Rot. Bonds4

About 4,6-diethoxypyrimidin-5-amine

4,6-diethoxypyrimidin-5-amine (PubChem CID 15585365) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4,6-diethoxypyrimidin-5-amine.

Molecular Properties

Compound Name4,6-diethoxypyrimidin-5-amine
PubChem CID15585365
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4,6-diethoxypyrimidin-5-amine
SMILESCCOc1ncnc(OCC)c1N
InChIInChI=1S/C8H13N3O2/c1-3-12-7-6(9)8(13-4-2)11-5-10-7/h5H,3-4,9H2,1-2H3
InChIKeyQYIAKLAHIZCCEQ-UHFFFAOYSA-N
XLogP0.86
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxypyrimidin-5-amine?
The IUPAC name of 4,6-diethoxypyrimidin-5-amine (CID 15585365) is 4,6-diethoxypyrimidin-5-amine.
What is the SMILES notation for 4,6-diethoxypyrimidin-5-amine?
The canonical SMILES for 4,6-diethoxypyrimidin-5-amine is CCOc1ncnc(OCC)c1N.
What is the InChIKey of 4,6-diethoxypyrimidin-5-amine?
The InChIKey is QYIAKLAHIZCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-12-7-6(9)8(13-4-2)11-5-10-7/h5H,3-4,9H2,1-2H3.
What are the key properties of 4,6-diethoxypyrimidin-5-amine?
4,6-diethoxypyrimidin-5-amine has a molecular weight of 183.21 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxypyrimidin-5-amine is sourced from PubChem (CID 15585365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).