2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine

C11H17N3O2 — CID 114471242

IUPAC2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
SMILESC=C(C)CCOc1cc(N)nc(COC)n1
InChIInChI=1S/C11H17N3O2/c1-8(2)4-5-16-11-6-9(12)13-10(14-11)7-15-3/h6H,1,4-5,7H2,2-3H3,(H2,12,13,14)
InChIKeyZCJZDHVHIYBDEK-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.55
Rot. Bonds6

About 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine

2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine (PubChem CID 114471242) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
PubChem CID114471242
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
SMILESC=C(C)CCOc1cc(N)nc(COC)n1
InChIInChI=1S/C11H17N3O2/c1-8(2)4-5-16-11-6-9(12)13-10(14-11)7-15-3/h6H,1,4-5,7H2,2-3H3,(H2,12,13,14)
InChIKeyZCJZDHVHIYBDEK-UHFFFAOYSA-N
XLogP1.55
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
The IUPAC name of 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine (CID 114471242) is 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
The canonical SMILES for 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine is C=C(C)CCOc1cc(N)nc(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
The InChIKey is ZCJZDHVHIYBDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8(2)4-5-16-11-6-9(12)13-10(14-11)7-15-3/h6H,1,4-5,7H2,2-3H3,(H2,12,13,14).
What are the key properties of 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine?
2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine has a molecular weight of 223.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(3-methylbut-3-enoxy)pyrimidin-4-amine is sourced from PubChem (CID 114471242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).