[(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone

C12H18N4O — CID 97074666

IUPAC[(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCN(C)C[C@@H]2C)n1
InChIInChI=1S/C12H18N4O/c1-9-8-15(3)6-7-16(9)12(17)11-4-5-13-10(2)14-11/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKeyRVIOYJAINOOYQO-VIFPVBQESA-N
MW234.30 g/mol
LogP0.56
Rot. Bonds1

About [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone

[(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone (PubChem CID 97074666) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
PubChem CID97074666
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name[(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
SMILESCc1nccc(C(=O)N2CCN(C)C[C@@H]2C)n1
InChIInChI=1S/C12H18N4O/c1-9-8-15(3)6-7-16(9)12(17)11-4-5-13-10(2)14-11/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1
InChIKeyRVIOYJAINOOYQO-VIFPVBQESA-N
XLogP0.56
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The IUPAC name of [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone (CID 97074666) is [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone.
What is the SMILES notation for [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The canonical SMILES for [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone is Cc1nccc(C(=O)N2CCN(C)C[C@@H]2C)n1.
What is the InChIKey of [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
The InChIKey is RVIOYJAINOOYQO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-8-15(3)6-7-16(9)12(17)11-4-5-13-10(2)14-11/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1.
What are the key properties of [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone?
[(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,4-dimethylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone is sourced from PubChem (CID 97074666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).