5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine

C11H16N4 — CID 70583982

IUPAC5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine
SMILESCC1=C(CCn2ccnc2)CN(C)C=N1
InChIInChI=1S/C11H16N4/c1-10-11(7-14(2)9-13-10)3-5-15-6-4-12-8-15/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyHMNRFLYXMOGRAG-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.52
Rot. Bonds3

About 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine

5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine (PubChem CID 70583982) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine.

Molecular Properties

Compound Name5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine
PubChem CID70583982
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine
SMILESCC1=C(CCn2ccnc2)CN(C)C=N1
InChIInChI=1S/C11H16N4/c1-10-11(7-14(2)9-13-10)3-5-15-6-4-12-8-15/h4,6,8-9H,3,5,7H2,1-2H3
InChIKeyHMNRFLYXMOGRAG-UHFFFAOYSA-N
XLogP1.52
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine?
The IUPAC name of 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine (CID 70583982) is 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine.
What is the SMILES notation for 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine?
The canonical SMILES for 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine is CC1=C(CCn2ccnc2)CN(C)C=N1.
What is the InChIKey of 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine?
The InChIKey is HMNRFLYXMOGRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c1-10-11(7-14(2)9-13-10)3-5-15-6-4-12-8-15/h4,6,8-9H,3,5,7H2,1-2H3.
What are the key properties of 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine?
5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine has a molecular weight of 204.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-ylethyl)-3,6-dimethyl-4H-pyrimidine is sourced from PubChem (CID 70583982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).