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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Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
5-Methyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25130908
4-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 58227165
N-(propan-2-yl)-4-(pyrimidin-2-yl)piperazine-1-carbothioamide
CID 2375700
5-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyrimidin-2-amine
CID 72859157
N-[3-(4-Ethylpiperazin-1-YL)propyl]pyrimidin-2-amine
CID 72909235
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72928341
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
CID 16314797
1-Piperazineethanamine, 4-(2-pyrimidinyl)-
CID 13885358

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).