4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine

C13H18N4O — CID 68716931

IUPAC4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine
SMILESCc1c(OCC(C)(C)C)ncnc1-n1ccnc1
InChIInChI=1S/C13H18N4O/c1-10-11(17-6-5-14-9-17)15-8-16-12(10)18-7-13(2,3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyKRQIIZGEIJCOLY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.40
Rot. Bonds3

About 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine

4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine (PubChem CID 68716931) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine
PubChem CID68716931
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine
SMILESCc1c(OCC(C)(C)C)ncnc1-n1ccnc1
InChIInChI=1S/C13H18N4O/c1-10-11(17-6-5-14-9-17)15-8-16-12(10)18-7-13(2,3)4/h5-6,8-9H,7H2,1-4H3
InChIKeyKRQIIZGEIJCOLY-UHFFFAOYSA-N
XLogP2.40
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine?
The IUPAC name of 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine (CID 68716931) is 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine?
The canonical SMILES for 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine is Cc1c(OCC(C)(C)C)ncnc1-n1ccnc1.
What is the InChIKey of 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine?
The InChIKey is KRQIIZGEIJCOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-10-11(17-6-5-14-9-17)15-8-16-12(10)18-7-13(2,3)4/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine?
4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine has a molecular weight of 246.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)-6-imidazol-1-yl-5-methylpyrimidine is sourced from PubChem (CID 68716931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).