2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine

C11H17N3O2 — CID 80990732

IUPAC2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(OC2CCOC2)n1
InChIInChI=1S/C11H17N3O2/c1-3-9-13-10(12)7(2)11(14-9)16-8-4-5-15-6-8/h8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyXZUHTSAZRKLHAY-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.10
Rot. Bonds3

About 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine

2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine (PubChem CID 80990732) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine
PubChem CID80990732
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine
SMILESCCc1nc(N)c(C)c(OC2CCOC2)n1
InChIInChI=1S/C11H17N3O2/c1-3-9-13-10(12)7(2)11(14-9)16-8-4-5-15-6-8/h8H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyXZUHTSAZRKLHAY-UHFFFAOYSA-N
XLogP1.10
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine (CID 80990732) is 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine is CCc1nc(N)c(C)c(OC2CCOC2)n1.
What is the InChIKey of 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine?
The InChIKey is XZUHTSAZRKLHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9-13-10(12)7(2)11(14-9)16-8-4-5-15-6-8/h8H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine?
2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine has a molecular weight of 223.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-6-(oxolan-3-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80990732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).