4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine

C12H16N6 — CID 10824197

IUPAC4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(-n3ccnc3)n2)CC1
InChIInChI=1S/C12H16N6/c1-16-6-8-17(9-7-16)12-14-3-2-11(15-12)18-5-4-13-10-18/h2-5,10H,6-9H2,1H3
InChIKeySJXASEQOEUUBFT-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.41
Rot. Bonds2

About 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine

4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine (PubChem CID 10824197) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine
PubChem CID10824197
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2nccc(-n3ccnc3)n2)CC1
InChIInChI=1S/C12H16N6/c1-16-6-8-17(9-7-16)12-14-3-2-11(15-12)18-5-4-13-10-18/h2-5,10H,6-9H2,1H3
InChIKeySJXASEQOEUUBFT-UHFFFAOYSA-N
XLogP0.41
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine (CID 10824197) is 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine is CN1CCN(c2nccc(-n3ccnc3)n2)CC1.
What is the InChIKey of 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine?
The InChIKey is SJXASEQOEUUBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c1-16-6-8-17(9-7-16)12-14-3-2-11(15-12)18-5-4-13-10-18/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine?
4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine has a molecular weight of 244.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-(4-methylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 10824197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).