4-methoxy-5,6-di(propan-2-yl)pyrimidine

C11H18N2O — CID 164840077

IUPAC4-methoxy-5,6-di(propan-2-yl)pyrimidine
SMILESCOc1ncnc(C(C)C)c1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)9-10(8(3)4)12-6-13-11(9)14-5/h6-8H,1-5H3
InChIKeySBMFKZBPLIJJHE-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.73
Rot. Bonds3

About 4-methoxy-5,6-di(propan-2-yl)pyrimidine

4-methoxy-5,6-di(propan-2-yl)pyrimidine (PubChem CID 164840077) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 4-methoxy-5,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-methoxy-5,6-di(propan-2-yl)pyrimidine
PubChem CID164840077
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name4-methoxy-5,6-di(propan-2-yl)pyrimidine
SMILESCOc1ncnc(C(C)C)c1C(C)C
InChIInChI=1S/C11H18N2O/c1-7(2)9-10(8(3)4)12-6-13-11(9)14-5/h6-8H,1-5H3
InChIKeySBMFKZBPLIJJHE-UHFFFAOYSA-N
XLogP2.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 4-methoxy-5,6-di(propan-2-yl)pyrimidine (CID 164840077) is 4-methoxy-5,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 4-methoxy-5,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 4-methoxy-5,6-di(propan-2-yl)pyrimidine is COc1ncnc(C(C)C)c1C(C)C.
What is the InChIKey of 4-methoxy-5,6-di(propan-2-yl)pyrimidine?
The InChIKey is SBMFKZBPLIJJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7(2)9-10(8(3)4)12-6-13-11(9)14-5/h6-8H,1-5H3.
What are the key properties of 4-methoxy-5,6-di(propan-2-yl)pyrimidine?
4-methoxy-5,6-di(propan-2-yl)pyrimidine has a molecular weight of 194.28 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 164840077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).