1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone

C12H18N4O — CID 110254201

IUPAC1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nc(N)ncc2C)C1
InChIInChI=1S/C12H18N4O/c1-8-6-14-12(13)15-11(8)10-4-3-5-16(7-10)9(2)17/h6,10H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyYNWYMCUXGYYCQZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.09
Rot. Bonds1

About 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone

1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 110254201) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID110254201
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nc(N)ncc2C)C1
InChIInChI=1S/C12H18N4O/c1-8-6-14-12(13)15-11(8)10-4-3-5-16(7-10)9(2)17/h6,10H,3-5,7H2,1-2H3,(H2,13,14,15)
InChIKeyYNWYMCUXGYYCQZ-UHFFFAOYSA-N
XLogP1.09
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 110254201) is 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2nc(N)ncc2C)C1.
What is the InChIKey of 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is YNWYMCUXGYYCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-8-6-14-12(13)15-11(8)10-4-3-5-16(7-10)9(2)17/h6,10H,3-5,7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-amino-5-methylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 110254201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).