2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine

C13H18N6 — CID 30982068

IUPAC2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1[nH]cnc1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N6/c1-11-12(17-10-16-11)9-18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,10H,5-9H2,1H3,(H,16,17)
InChIKeyDGSHKDFBBOLMEG-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.83
Rot. Bonds3

About 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 30982068) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID30982068
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1[nH]cnc1CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H18N6/c1-11-12(17-10-16-11)9-18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,10H,5-9H2,1H3,(H,16,17)
InChIKeyDGSHKDFBBOLMEG-UHFFFAOYSA-N
XLogP0.83
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine (CID 30982068) is 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine is Cc1[nH]cnc1CN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is DGSHKDFBBOLMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-11-12(17-10-16-11)9-18-5-7-19(8-6-18)13-14-3-2-4-15-13/h2-4,10H,5-9H2,1H3,(H,16,17).
What are the key properties of 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 258.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 30982068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).