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

C13H21N3O2 — CID 122049144

IUPAC(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1cc(C(C)C)ncn1)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-8(2)5-11(13(17)18)16-12-6-10(9(3)4)14-7-15-12/h6-9,11H,5H2,1-4H3,(H,17,18)(H,14,15,16)/t11-/m1/s1
InChIKeyZUCUGDLSWPCWBQ-LLVKDONJSA-N
MW251.33 g/mol
LogP2.51
Rot. Bonds6

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

(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid (PubChem CID 122049144) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid
PubChem CID122049144
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1cc(C(C)C)ncn1)C(=O)O
InChIInChI=1S/C13H21N3O2/c1-8(2)5-11(13(17)18)16-12-6-10(9(3)4)14-7-15-12/h6-9,11H,5H2,1-4H3,(H,17,18)(H,14,15,16)/t11-/m1/s1
InChIKeyZUCUGDLSWPCWBQ-LLVKDONJSA-N
XLogP2.51
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-4-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 122050185
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
(2R)-4-methyl-2-[(6-piperidin-1-ylpyrimidin-4-yl)amino]pentanoic acid
CID 120964190
2-phenyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 62108953
methyl 2-[(6-propan-2-ylpyrimidin-4-yl)amino]acetate
CID 55151659
2-[(5-bromo-4-methyl-2-pyridinyl)amino]-4-methylpentanoic acid
CID 122062511
N-(5-methylhexan-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 63927535
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
4-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentanoic acid
CID 66328053
N-(1-methoxypropan-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 61242089
(2S)-4-methyl-2-[(4-methyl-5-nitro-2-pyridinyl)amino]pentanoic acid
CID 120964560
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-4-methylpentanoic acid
CID 120964579

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid (CID 122049144) is (2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid is CC(C)C[C@@H](Nc1cc(C(C)C)ncn1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is ZUCUGDLSWPCWBQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)5-11(13(17)18)16-12-6-10(9(3)4)14-7-15-12/h6-9,11H,5H2,1-4H3,(H,17,18)(H,14,15,16)/t11-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid?
(2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(6-propan-2-ylpyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 122049144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).