5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine

C11H16N4 — CID 89340460

IUPAC5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
SMILESC=Cc1cnc(N2CCNC[C@@H]2C)nc1
InChIInChI=1S/C11H16N4/c1-3-10-7-13-11(14-8-10)15-5-4-12-6-9(15)2/h3,7-9,12H,1,4-6H2,2H3/t9-/m0/s1
InChIKeyRVMGZCJCBDUOFN-VIFPVBQESA-N
MW204.28 g/mol
LogP0.92
Rot. Bonds2

About 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine

5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine (PubChem CID 89340460) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
PubChem CID89340460
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine
SMILESC=Cc1cnc(N2CCNC[C@@H]2C)nc1
InChIInChI=1S/C11H16N4/c1-3-10-7-13-11(14-8-10)15-5-4-12-6-9(15)2/h3,7-9,12H,1,4-6H2,2H3/t9-/m0/s1
InChIKeyRVMGZCJCBDUOFN-VIFPVBQESA-N
XLogP0.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine?
The IUPAC name of 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine (CID 89340460) is 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine.
What is the SMILES notation for 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine?
The canonical SMILES for 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine is C=Cc1cnc(N2CCNC[C@@H]2C)nc1.
What is the InChIKey of 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine?
The InChIKey is RVMGZCJCBDUOFN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N4/c1-3-10-7-13-11(14-8-10)15-5-4-12-6-9(15)2/h3,7-9,12H,1,4-6H2,2H3/t9-/m0/s1.
What are the key properties of 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine?
5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine has a molecular weight of 204.28 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-[(2S)-2-methylpiperazin-1-yl]pyrimidine is sourced from PubChem (CID 89340460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).