2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine

C10H12N4 — CID 154972092

IUPAC2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine
SMILESCc1cn(CCc2ncccn2)cn1
InChIInChI=1S/C10H12N4/c1-9-7-14(8-13-9)6-3-10-11-4-2-5-12-10/h2,4-5,7-8H,3,6H2,1H3
InChIKeyPSKWVEWLVOCDLM-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.22
Rot. Bonds3

About 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine

2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine (PubChem CID 154972092) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine
PubChem CID154972092
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine
SMILESCc1cn(CCc2ncccn2)cn1
InChIInChI=1S/C10H12N4/c1-9-7-14(8-13-9)6-3-10-11-4-2-5-12-10/h2,4-5,7-8H,3,6H2,1H3
InChIKeyPSKWVEWLVOCDLM-UHFFFAOYSA-N
XLogP1.22
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine?
The IUPAC name of 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine (CID 154972092) is 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine.
What is the SMILES notation for 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine?
The canonical SMILES for 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine is Cc1cn(CCc2ncccn2)cn1.
What is the InChIKey of 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine?
The InChIKey is PSKWVEWLVOCDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-9-7-14(8-13-9)6-3-10-11-4-2-5-12-10/h2,4-5,7-8H,3,6H2,1H3.
What are the key properties of 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine?
2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine has a molecular weight of 188.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylimidazol-1-yl)ethyl]pyrimidine is sourced from PubChem (CID 154972092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).