6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine

C11H19N3O2 — CID 106669190

IUPAC6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(OCCC(C)(C)OC)ncn1
InChIInChI=1S/C11H19N3O2/c1-11(2,15-4)5-6-16-10-7-9(12-3)13-8-14-10/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyKQOBPQPVXMVXHJ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.71
Rot. Bonds6

About 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine

6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine (PubChem CID 106669190) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine
PubChem CID106669190
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine
SMILESCNc1cc(OCCC(C)(C)OC)ncn1
InChIInChI=1S/C11H19N3O2/c1-11(2,15-4)5-6-16-10-7-9(12-3)13-8-14-10/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyKQOBPQPVXMVXHJ-UHFFFAOYSA-N
XLogP1.71
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine (CID 106669190) is 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine is CNc1cc(OCCC(C)(C)OC)ncn1.
What is the InChIKey of 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine?
The InChIKey is KQOBPQPVXMVXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,15-4)5-6-16-10-7-9(12-3)13-8-14-10/h7-8H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine?
6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine has a molecular weight of 225.29 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-3-methylbutoxy)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 106669190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).