(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid

C11H17N3O2 — CID 122062830

IUPAC(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1ccnc(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-3-4-5-9(11(15)16)14-10-6-7-12-8(2)13-10/h6-7,9H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)/t9-/m0/s1
InChIKeyLEZNSAYTNYUYKR-VIFPVBQESA-N
MW223.28 g/mol
LogP1.84
Rot. Bonds6

About (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid

(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid (PubChem CID 122062830) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
PubChem CID122062830
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1ccnc(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-3-4-5-9(11(15)16)14-10-6-7-12-8(2)13-10/h6-7,9H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)/t9-/m0/s1
InChIKeyLEZNSAYTNYUYKR-VIFPVBQESA-N
XLogP1.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060352
(2S)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062866
2-[(2-phenylpyrimidin-4-yl)amino]hexanoic acid
CID 122060341
2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid
CID 103241040
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062861
2-[(5-iodo-2-pyridinyl)amino]hexanoic acid
CID 122060460
(2S)-2-[(4-tert-butylpyrimidin-2-yl)amino]hexanoic acid
CID 122062726
ethane;N-(2-methylpyrimidin-4-yl)pentanamide
CID 143608793
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958442
(2S)-2-[(5-carbamoyl-2-pyridinyl)amino]hexanoic acid
CID 122062714

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid (CID 122062830) is (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid is CCCC[C@H](Nc1ccnc(C)n1)C(=O)O.
What is the InChIKey of (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is LEZNSAYTNYUYKR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-5-9(11(15)16)14-10-6-7-12-8(2)13-10/h6-7,9H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid?
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 122062830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).