2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid

C13H20N4O3 — CID 106814254

IUPAC2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
SMILESCOc1cc(N2CCCC(CNCC(=O)O)C2)ncn1
InChIInChI=1S/C13H20N4O3/c1-20-12-5-11(15-9-16-12)17-4-2-3-10(8-17)6-14-7-13(18)19/h5,9-10,14H,2-4,6-8H2,1H3,(H,18,19)
InChIKeyPRCJFSNIRADJLH-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.38
Rot. Bonds6

About 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid

2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814254) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
PubChem CID106814254
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
SMILESCOc1cc(N2CCCC(CNCC(=O)O)C2)ncn1
InChIInChI=1S/C13H20N4O3/c1-20-12-5-11(15-9-16-12)17-4-2-3-10(8-17)6-14-7-13(18)19/h5,9-10,14H,2-4,6-8H2,1H3,(H,18,19)
InChIKeyPRCJFSNIRADJLH-UHFFFAOYSA-N
XLogP0.38
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid with MolForge

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Related Compounds

2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112
2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814350
2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814312
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66331557
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66331580
2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid
CID 106814327
N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
CID 99614878
2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814368
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid (CID 106814254) is 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid is COc1cc(N2CCCC(CNCC(=O)O)C2)ncn1.
What is the InChIKey of 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
The InChIKey is PRCJFSNIRADJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-20-12-5-11(15-9-16-12)17-4-2-3-10(8-17)6-14-7-13(18)19/h5,9-10,14H,2-4,6-8H2,1H3,(H,18,19).
What are the key properties of 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid?
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid has a molecular weight of 280.33 g/mol, XLogP of 0.38, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).