4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine

C13H18N4 — CID 133407803

IUPAC4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(-n2ccnc2)nc(C(C)C)n1
InChIInChI=1S/C13H18N4/c1-9(2)11-7-12(17-6-5-14-8-17)16-13(15-11)10(3)4/h5-10H,1-4H3
InChIKeyIGFUCLXQLREGGP-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.91
Rot. Bonds3

About 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine

4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine (PubChem CID 133407803) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine
PubChem CID133407803
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(-n2ccnc2)nc(C(C)C)n1
InChIInChI=1S/C13H18N4/c1-9(2)11-7-12(17-6-5-14-8-17)16-13(15-11)10(3)4/h5-10H,1-4H3
InChIKeyIGFUCLXQLREGGP-UHFFFAOYSA-N
XLogP2.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine (CID 133407803) is 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine is CC(C)c1cc(-n2ccnc2)nc(C(C)C)n1.
What is the InChIKey of 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine?
The InChIKey is IGFUCLXQLREGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-9(2)11-7-12(17-6-5-14-8-17)16-13(15-11)10(3)4/h5-10H,1-4H3.
What are the key properties of 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine?
4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine has a molecular weight of 230.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 133407803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).