4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine

C13H23N3O3 — CID 106664845

IUPAC4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine
SMILESCCCOc1ncnc(OCCC(C)(C)OC)c1N
InChIInChI=1S/C13H23N3O3/c1-5-7-18-11-10(14)12(16-9-15-11)19-8-6-13(2,3)17-4/h9H,5-8,14H2,1-4H3
InChIKeyBVIQMUDGUNSMAT-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.04
Rot. Bonds8

About 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine

4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine (PubChem CID 106664845) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine
PubChem CID106664845
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine
SMILESCCCOc1ncnc(OCCC(C)(C)OC)c1N
InChIInChI=1S/C13H23N3O3/c1-5-7-18-11-10(14)12(16-9-15-11)19-8-6-13(2,3)17-4/h9H,5-8,14H2,1-4H3
InChIKeyBVIQMUDGUNSMAT-UHFFFAOYSA-N
XLogP2.04
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine (CID 106664845) is 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine is CCCOc1ncnc(OCCC(C)(C)OC)c1N.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine?
The InChIKey is BVIQMUDGUNSMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-5-7-18-11-10(14)12(16-9-15-11)19-8-6-13(2,3)17-4/h9H,5-8,14H2,1-4H3.
What are the key properties of 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine?
4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine has a molecular weight of 269.34 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)-6-propoxypyrimidin-5-amine is sourced from PubChem (CID 106664845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).