4,5-dimethoxy-2-propan-2-ylpyrimidine

C9H14N2O2 — CID 21247454

IUPAC4,5-dimethoxy-2-propan-2-ylpyrimidine
SMILESCOc1cnc(C(C)C)nc1OC
InChIInChI=1S/C9H14N2O2/c1-6(2)8-10-5-7(12-3)9(11-8)13-4/h5-6H,1-4H3
InChIKeyPEGMIUGVQYTVNR-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.62
Rot. Bonds3

About 4,5-dimethoxy-2-propan-2-ylpyrimidine

4,5-dimethoxy-2-propan-2-ylpyrimidine (PubChem CID 21247454) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 4,5-dimethoxy-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,5-dimethoxy-2-propan-2-ylpyrimidine
PubChem CID21247454
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name4,5-dimethoxy-2-propan-2-ylpyrimidine
SMILESCOc1cnc(C(C)C)nc1OC
InChIInChI=1S/C9H14N2O2/c1-6(2)8-10-5-7(12-3)9(11-8)13-4/h5-6H,1-4H3
InChIKeyPEGMIUGVQYTVNR-UHFFFAOYSA-N
XLogP1.62
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-propan-2-ylpyrimidine?
The IUPAC name of 4,5-dimethoxy-2-propan-2-ylpyrimidine (CID 21247454) is 4,5-dimethoxy-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4,5-dimethoxy-2-propan-2-ylpyrimidine?
The canonical SMILES for 4,5-dimethoxy-2-propan-2-ylpyrimidine is COc1cnc(C(C)C)nc1OC.
What is the InChIKey of 4,5-dimethoxy-2-propan-2-ylpyrimidine?
The InChIKey is PEGMIUGVQYTVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)8-10-5-7(12-3)9(11-8)13-4/h5-6H,1-4H3.
What are the key properties of 4,5-dimethoxy-2-propan-2-ylpyrimidine?
4,5-dimethoxy-2-propan-2-ylpyrimidine has a molecular weight of 182.22 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-propan-2-ylpyrimidine is sourced from PubChem (CID 21247454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).