2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine

C13H18N6 — CID 146481780

IUPAC2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine
SMILESCc1cn(-c2ncc(CN3CCNCC3)cn2)cn1
InChIInChI=1S/C13H18N6/c1-11-8-19(10-17-11)13-15-6-12(7-16-13)9-18-4-2-14-3-5-18/h6-8,10,14H,2-5,9H2,1H3
InChIKeyZZYQJZFJPDXXEQ-UHFFFAOYSA-N
MW258.33 g/mol
LogP0.38
Rot. Bonds3

About 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine

2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine (PubChem CID 146481780) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine
PubChem CID146481780
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine
SMILESCc1cn(-c2ncc(CN3CCNCC3)cn2)cn1
InChIInChI=1S/C13H18N6/c1-11-8-19(10-17-11)13-15-6-12(7-16-13)9-18-4-2-14-3-5-18/h6-8,10,14H,2-5,9H2,1H3
InChIKeyZZYQJZFJPDXXEQ-UHFFFAOYSA-N
XLogP0.38
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
CID 146481728
2-[5-(difluoromethyl)-4-methylimidazol-1-yl]-5-(piperazin-1-ylmethyl)pyrimidine
CID 146481782
2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)pyrimidine
CID 178104268
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
6-(piperazin-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84786136
3-(difluoromethoxy)-1-[5-(piperazin-1-ylmethyl)pyrimidin-2-yl]pyrazole-4-carbonitrile
CID 146482055
1-[1-[(6-methyl-3-pyridinyl)methyl]azetidin-3-yl]piperazine
CID 104822700
1-[3-(4-methylimidazol-1-yl)phenyl]piperazine
CID 82513454
1-[2-(1,3-dimethylpyrazol-4-yl)ethyl]piperazine
CID 82611840
4-methyl-2-(piperazin-1-ylmethyl)pyrimidine
CID 63343078
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518
1-[(1-methylpyrrol-3-yl)methyl]piperazine
CID 82280746

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine?
The IUPAC name of 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine (CID 146481780) is 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine?
The canonical SMILES for 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine is Cc1cn(-c2ncc(CN3CCNCC3)cn2)cn1.
What is the InChIKey of 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine?
The InChIKey is ZZYQJZFJPDXXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-11-8-19(10-17-11)13-15-6-12(7-16-13)9-18-4-2-14-3-5-18/h6-8,10,14H,2-5,9H2,1H3.
What are the key properties of 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine?
2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine has a molecular weight of 258.33 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylimidazol-1-yl)-5-(piperazin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 146481780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).