2-methoxy-4,6-di(propan-2-yloxy)pyrimidine

C11H18N2O3 — CID 86016297

IUPAC2-methoxy-4,6-di(propan-2-yloxy)pyrimidine
SMILESCOc1nc(OC(C)C)cc(OC(C)C)n1
InChIInChI=1S/C11H18N2O3/c1-7(2)15-9-6-10(16-8(3)4)13-11(12-9)14-5/h6-8H,1-5H3
InChIKeyNCAQZVAMVMVPEC-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.06
Rot. Bonds5

About 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine

2-methoxy-4,6-di(propan-2-yloxy)pyrimidine (PubChem CID 86016297) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine.

Molecular Properties

Compound Name2-methoxy-4,6-di(propan-2-yloxy)pyrimidine
PubChem CID86016297
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-methoxy-4,6-di(propan-2-yloxy)pyrimidine
SMILESCOc1nc(OC(C)C)cc(OC(C)C)n1
InChIInChI=1S/C11H18N2O3/c1-7(2)15-9-6-10(16-8(3)4)13-11(12-9)14-5/h6-8H,1-5H3
InChIKeyNCAQZVAMVMVPEC-UHFFFAOYSA-N
XLogP2.06
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine?
The IUPAC name of 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine (CID 86016297) is 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine.
What is the SMILES notation for 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine?
The canonical SMILES for 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine is COc1nc(OC(C)C)cc(OC(C)C)n1.
What is the InChIKey of 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine?
The InChIKey is NCAQZVAMVMVPEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(2)15-9-6-10(16-8(3)4)13-11(12-9)14-5/h6-8H,1-5H3.
What are the key properties of 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine?
2-methoxy-4,6-di(propan-2-yloxy)pyrimidine has a molecular weight of 226.28 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-di(propan-2-yloxy)pyrimidine is sourced from PubChem (CID 86016297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).