2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid

C13H19N3O3 — CID 66332132

IUPAC2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
SMILESCOc1ncnc(N2CCCC(CC(=O)O)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-9-12(14-8-15-13(9)19-2)16-5-3-4-10(7-16)6-11(17)18/h8,10H,3-7H2,1-2H3,(H,17,18)
InChIKeyIVTYZIHAVOTUKK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.48
Rot. Bonds4

About 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid

2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid (PubChem CID 66332132) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
PubChem CID66332132
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid
SMILESCOc1ncnc(N2CCCC(CC(=O)O)C2)c1C
InChIInChI=1S/C13H19N3O3/c1-9-12(14-8-15-13(9)19-2)16-5-3-4-10(7-16)6-11(17)18/h8,10H,3-7H2,1-2H3,(H,17,18)
InChIKeyIVTYZIHAVOTUKK-UHFFFAOYSA-N
XLogP1.48
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methoxy-5-methylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 66332559
2-[8-(6-methoxy-5-methylpyrimidin-4-yl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79610370
4-methoxy-5-methyl-6-pyrrolidin-1-ylpyrimidine
CID 130557587
[1-(6-methoxy-5-methylpyrimidin-4-yl)azetidin-3-yl]methanamine
CID 66325530
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66331557
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
CID 55104995
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
N-[[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-4-yl]methyl]propan-2-amine
CID 66331952
2-[4-(6-ethoxy-5-methylpyrimidin-4-yl)morpholin-2-yl]acetic acid
CID 66434220
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
2-[1-(6-amino-5-methylpyrimidin-4-yl)piperidin-3-yl]ethanol
CID 107229203

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid (CID 66332132) is 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid is COc1ncnc(N2CCCC(CC(=O)O)C2)c1C.
What is the InChIKey of 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid?
The InChIKey is IVTYZIHAVOTUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-12(14-8-15-13(9)19-2)16-5-3-4-10(7-16)6-11(17)18/h8,10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid?
2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxy-5-methylpyrimidin-4-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 66332132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).