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

C12H19N5O — CID 80806378

IUPAC2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCc1cnc(N)nc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C12H19N5O/c1-8-7-15-12(14)16-11(8)17-4-2-9(3-5-17)6-10(13)18/h7,9H,2-6H2,1H3,(H2,13,18)(H2,14,15,16)
InChIKeyDXLNGKTZHLYKNK-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.46
Rot. Bonds3

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

2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 80806378) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
PubChem CID80806378
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
SMILESCc1cnc(N)nc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C12H19N5O/c1-8-7-15-12(14)16-11(8)17-4-2-9(3-5-17)6-10(13)18/h7,9H,2-6H2,1H3,(H2,13,18)(H2,14,15,16)
InChIKeyDXLNGKTZHLYKNK-UHFFFAOYSA-N
XLogP0.46
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide (CID 80806378) is 2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide is Cc1cnc(N)nc1N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is DXLNGKTZHLYKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-8-7-15-12(14)16-11(8)17-4-2-9(3-5-17)6-10(13)18/h7,9H,2-6H2,1H3,(H2,13,18)(H2,14,15,16).
What are the key properties of 2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide?
2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 249.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 80806378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).