2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine

C15H22N6 — CID 45217191

IUPAC2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
SMILESCc1nccn1C(C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N6/c1-13(21-7-6-16-14(21)2)12-19-8-10-20(11-9-19)15-17-4-3-5-18-15/h3-7,13H,8-12H2,1-2H3
InChIKeyMGFPDTDMOQJPHB-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.36
Rot. Bonds4

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

2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine (PubChem CID 45217191) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
PubChem CID45217191
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine
SMILESCc1nccn1C(C)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N6/c1-13(21-7-6-16-14(21)2)12-19-8-10-20(11-9-19)15-17-4-3-5-18-15/h3-7,13H,8-12H2,1-2H3
InChIKeyMGFPDTDMOQJPHB-UHFFFAOYSA-N
XLogP1.36
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine (CID 45217191) is 2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine is Cc1nccn1C(C)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine?
The InChIKey is MGFPDTDMOQJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-13(21-7-6-16-14(21)2)12-19-8-10-20(11-9-19)15-17-4-3-5-18-15/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine?
2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine has a molecular weight of 286.38 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 45217191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).