1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone

C15H24N4O — CID 167420915

IUPAC1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(C(C)(C)C)cn2)[C@H](C)C1
InChIInChI=1S/C15H24N4O/c1-11-10-18(12(2)20)6-7-19(11)14-16-8-13(9-17-14)15(3,4)5/h8-9,11H,6-7,10H2,1-5H3/t11-/m1/s1
InChIKeyFTVADOLWUHYCAI-LLVKDONJSA-N
MW276.38 g/mol
LogP1.83
Rot. Bonds1

About 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone

1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone (PubChem CID 167420915) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
PubChem CID167420915
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ncc(C(C)(C)C)cn2)[C@H](C)C1
InChIInChI=1S/C15H24N4O/c1-11-10-18(12(2)20)6-7-19(11)14-16-8-13(9-17-14)15(3,4)5/h8-9,11H,6-7,10H2,1-5H3/t11-/m1/s1
InChIKeyFTVADOLWUHYCAI-LLVKDONJSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-4-(5-bromopyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone
CID 122617208
1-[(3S)-3-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 99867847
tert-butyl (3S)-3-methyl-4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 167442298
1-[(3S)-4-(5-bromopyrimidin-2-yl)-3-methylpiperazin-1-yl]-2-hydroxyethanone
CID 122621174
tert-butyl (3S)-3-methyl-4-pyrimidin-2-ylpiperazine-1-carboxylate
CID 95247753
6-[2-(4-acetyl-2-methylpiperazin-1-yl)pyrimidin-5-yl]-2-methyl-1H-indazol-3-one
CID 122620398
2-(4-acetyl-2-methylpiperazin-1-yl)-N-methyl-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide
CID 176858344
2-(4-acetyl-2-methylpiperazin-1-yl)-4-(2-methylsulfonylanilino)pyrimidine-5-carboxamide
CID 176858343
ethyl 2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-1,3-thiazole-5-carboxylate
CID 166280889
tert-butyl (3S)-4-(5-chloro-4-methylsulfonylpyrimidin-2-yl)-3-methylpiperazine-1-carboxylate
CID 163367790
1-[4-(3-methyl-4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 110741110
2,3-dihydroxy-1-[3-methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one
CID 71634962

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone (CID 167420915) is 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone is CC(=O)N1CCN(c2ncc(C(C)(C)C)cn2)[C@H](C)C1.
What is the InChIKey of 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone?
The InChIKey is FTVADOLWUHYCAI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11-10-18(12(2)20)6-7-19(11)14-16-8-13(9-17-14)15(3,4)5/h8-9,11H,6-7,10H2,1-5H3/t11-/m1/s1.
What are the key properties of 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone?
1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-4-(5-tert-butylpyrimidin-2-yl)-3-methylpiperazin-1-yl]ethanone is sourced from PubChem (CID 167420915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).