1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone

C12H20N4O — CID 118929981

IUPAC1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2=NCNC(C)=C2)CC1
InChIInChI=1S/C12H20N4O/c1-9-7-12(14-8-13-9)15-11-3-5-16(6-4-11)10(2)17/h7,11,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyKCIZRTKZVJRRBG-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.45
Rot. Bonds1

About 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone

1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone (PubChem CID 118929981) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
PubChem CID118929981
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC2=NCNC(C)=C2)CC1
InChIInChI=1S/C12H20N4O/c1-9-7-12(14-8-13-9)15-11-3-5-16(6-4-11)10(2)17/h7,11,13H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyKCIZRTKZVJRRBG-UHFFFAOYSA-N
XLogP0.45
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone (CID 118929981) is 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NC2=NCNC(C)=C2)CC1.
What is the InChIKey of 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is KCIZRTKZVJRRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9-7-12(14-8-13-9)15-11-3-5-16(6-4-11)10(2)17/h7,11,13H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 236.32 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-1,2-dihydropyrimidin-4-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 118929981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).