(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid

C15H24N4O2 — CID 120964190

IUPAC(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1cc(N2CCCCC2)ncn1)C(=O)O
InChIInChI=1S/C15H24N4O2/c1-11(2)8-12(15(20)21)18-13-9-14(17-10-16-13)19-6-4-3-5-7-19/h9-12H,3-8H2,1-2H3,(H,20,21)(H,16,17,18)/t12-/m1/s1
InChIKeyZEEDFACLVIVKEW-GFCCVEGCSA-N
MW292.38 g/mol
LogP2.38
Rot. Bonds6

About (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid

(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid (PubChem CID 120964190) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
PubChem CID120964190
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1cc(N2CCCCC2)ncn1)C(=O)O
InChIInChI=1S/C15H24N4O2/c1-11(2)8-12(15(20)21)18-13-9-14(17-10-16-13)19-6-4-3-5-7-19/h9-12H,3-8H2,1-2H3,(H,20,21)(H,16,17,18)/t12-/m1/s1
InChIKeyZEEDFACLVIVKEW-GFCCVEGCSA-N
XLogP2.38
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid with MolForge

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Related Compounds

(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060265
(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid
CID 122049144
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
N-(1-phenylethyl)-6-piperidin-1-ylpyrimidin-4-amine
CID 112856019
6-(azepan-1-yl)-N-(1-phenylethyl)pyrimidin-4-amine
CID 112859333
2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]hexanoic acid
CID 122060266
(2S)-3-phenyl-2-[(6-thiomorpholin-4-ylpyrimidin-4-yl)amino]propanoic acid
CID 120964320
2-methyl-N-[3-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propyl]propanamide
CID 100650371
2-methyl-3-[methyl-(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]propanoic acid
CID 122064992
N-(6-piperidin-1-ylpyrimidin-4-yl)cyclopentanecarboxamide
CID 90544433

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid (CID 120964190) is (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid is CC(C)C[C@@H](Nc1cc(N2CCCCC2)ncn1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is ZEEDFACLVIVKEW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)8-12(15(20)21)18-13-9-14(17-10-16-13)19-6-4-3-5-7-19/h9-12H,3-8H2,1-2H3,(H,20,21)(H,16,17,18)/t12-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid?
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 120964190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).