2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid

C13H20N4O2 — CID 122064992

IUPAC2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(CN(C)c1cc(N2CCCC2)ncn1)C(=O)O
InChIInChI=1S/C13H20N4O2/c1-10(13(18)19)8-16(2)11-7-12(15-9-14-11)17-5-3-4-6-17/h7,9-10H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyXTEMAUWGRRDFKQ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.23
Rot. Bonds5

About 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid

2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 122064992) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid
PubChem CID122064992
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(CN(C)c1cc(N2CCCC2)ncn1)C(=O)O
InChIInChI=1S/C13H20N4O2/c1-10(13(18)19)8-16(2)11-7-12(15-9-14-11)17-5-3-4-6-17/h7,9-10H,3-6,8H2,1-2H3,(H,18,19)
InChIKeyXTEMAUWGRRDFKQ-UHFFFAOYSA-N
XLogP1.23
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
3-[[6-[2-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064774
3-[[6-(2,3-dihydroindol-1-yl)pyrimidin-4-yl]-methylamino]-2-methylpropanoic acid
CID 122064676
(2S)-1-methoxy-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 100648038
1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one
CID 115265287
2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoic acid
CID 66333588
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 120964085
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
N-methyl-6-piperidin-1-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133413104
N,N-dipropyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112855707
3-[(4-bromo-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 122064988
2-[4-[6-[ethyl(methyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 115265221

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid (CID 122064992) is 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid is CC(CN(C)c1cc(N2CCCC2)ncn1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is XTEMAUWGRRDFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(13(18)19)8-16(2)11-7-12(15-9-14-11)17-5-3-4-6-17/h7,9-10H,3-6,8H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid?
2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 264.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122064992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).