4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine

C16H24N6 — CID 133460505

IUPAC4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCCc1cc(N2CCN(Cc3nccn3C)CC2)nc(C)n1
InChIInChI=1S/C16H24N6/c1-4-14-11-15(19-13(2)18-14)22-9-7-21(8-10-22)12-16-17-5-6-20(16)3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyXHNUXAQWUMVXEX-UHFFFAOYSA-N
MW300.41 g/mol
LogP1.40
Rot. Bonds4

About 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine

4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 133460505) has the molecular formula C16H24N6 and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID133460505
Molecular FormulaC16H24N6
Molecular Weight300.41 g/mol
Exact Mass300.21
IUPAC Name4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCCc1cc(N2CCN(Cc3nccn3C)CC2)nc(C)n1
InChIInChI=1S/C16H24N6/c1-4-14-11-15(19-13(2)18-14)22-9-7-21(8-10-22)12-16-17-5-6-20(16)3/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyXHNUXAQWUMVXEX-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine (CID 133460505) is 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine is CCc1cc(N2CCN(Cc3nccn3C)CC2)nc(C)n1.
What is the InChIKey of 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is XHNUXAQWUMVXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6/c1-4-14-11-15(19-13(2)18-14)22-9-7-21(8-10-22)12-16-17-5-6-20(16)3/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 300.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 133460505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).