4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine

C14H20N4O — CID 68718727

IUPAC4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine
SMILESCc1c(OCCC(C)(C)C)ncnc1-n1ccnc1
InChIInChI=1S/C14H20N4O/c1-11-12(18-7-6-15-10-18)16-9-17-13(11)19-8-5-14(2,3)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeySEUWJIAQTGHIQH-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.79
Rot. Bonds4

About 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine

4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine (PubChem CID 68718727) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine.

Molecular Properties

Compound Name4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine
PubChem CID68718727
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine
SMILESCc1c(OCCC(C)(C)C)ncnc1-n1ccnc1
InChIInChI=1S/C14H20N4O/c1-11-12(18-7-6-15-10-18)16-9-17-13(11)19-8-5-14(2,3)4/h6-7,9-10H,5,8H2,1-4H3
InChIKeySEUWJIAQTGHIQH-UHFFFAOYSA-N
XLogP2.79
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine?
The IUPAC name of 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine (CID 68718727) is 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine.
What is the SMILES notation for 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine?
The canonical SMILES for 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine is Cc1c(OCCC(C)(C)C)ncnc1-n1ccnc1.
What is the InChIKey of 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine?
The InChIKey is SEUWJIAQTGHIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11-12(18-7-6-15-10-18)16-9-17-13(11)19-8-5-14(2,3)4/h6-7,9-10H,5,8H2,1-4H3.
What are the key properties of 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine?
4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine has a molecular weight of 260.34 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutoxy)-6-imidazol-1-yl-5-methylpyrimidine is sourced from PubChem (CID 68718727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).