2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid

C14H23N5O2 — CID 106814327

IUPAC2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid
SMILESCN(C)c1nccc(N2CCCC(CNCC(=O)O)C2)n1
InChIInChI=1S/C14H23N5O2/c1-18(2)14-16-6-5-12(17-14)19-7-3-4-11(10-19)8-15-9-13(20)21/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyUCTIFQYGGIZRRH-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.43
Rot. Bonds6

About 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid

2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid (PubChem CID 106814327) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid
PubChem CID106814327
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid
SMILESCN(C)c1nccc(N2CCCC(CNCC(=O)O)C2)n1
InChIInChI=1S/C14H23N5O2/c1-18(2)14-16-6-5-12(17-14)19-7-3-4-11(10-19)8-15-9-13(20)21/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyUCTIFQYGGIZRRH-UHFFFAOYSA-N
XLogP0.43
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(6-ethoxy-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814350
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814312
2-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814374
2-[[1-(3-chloro-4-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814280
2-[[1-(3-chloro-4-cyano-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 107061429
4-[3-(2-bromoethyl)pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 114800719
(3S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-methylpyrrolidine-3-carboxylic acid
CID 114085574
2-[[1-(1,2,4-thiadiazol-5-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814368
tert-butyl N-[[(3R)-1-(2-chloropyrimidin-4-yl)piperidin-3-yl]methyl]carbamate
CID 97174350
3-[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]oxypropanoic acid
CID 64830048
2-[[1-(1H-benzimidazol-2-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814248

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid (CID 106814327) is 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid is CN(C)c1nccc(N2CCCC(CNCC(=O)O)C2)n1.
What is the InChIKey of 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid?
The InChIKey is UCTIFQYGGIZRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-18(2)14-16-6-5-12(17-14)19-7-3-4-11(10-19)8-15-9-13(20)21/h5-6,11,15H,3-4,7-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid?
2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[2-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]methylamino]acetic acid is sourced from PubChem (CID 106814327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).