(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid

C16H20N4O2 — CID 122062861

IUPAC(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1cc(C)nc(-c2ccccn2)n1)C(=O)O
InChIInChI=1S/C16H20N4O2/c1-3-4-7-13(16(21)22)19-14-10-11(2)18-15(20-14)12-8-5-6-9-17-12/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,21,22)(H,18,19,20)/t13-/m0/s1
InChIKeySQVLUANJJYJTBJ-ZDUSSCGKSA-N
MW300.36 g/mol
LogP2.90
Rot. Bonds7

About (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid

(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid (PubChem CID 122062861) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
PubChem CID122062861
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid
SMILESCCCC[C@H](Nc1cc(C)nc(-c2ccccn2)n1)C(=O)O
InChIInChI=1S/C16H20N4O2/c1-3-4-7-13(16(21)22)19-14-10-11(2)18-15(20-14)12-8-5-6-9-17-12/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,21,22)(H,18,19,20)/t13-/m0/s1
InChIKeySQVLUANJJYJTBJ-ZDUSSCGKSA-N
XLogP2.90
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid with MolForge

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Related Compounds

2-[(2-phenylpyrimidin-4-yl)amino]hexanoic acid
CID 122060341
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
(2S)-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]hexanoic acid
CID 122062814
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
(2S)-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]hexanoic acid
CID 39165215
(2S)-2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122062866
2-[(2-propan-2-ylpyrimidin-4-yl)amino]hexanoic acid
CID 122060352
2-(pyridin-2-ylcarbamoylamino)hexanoic acid
CID 110491750
6-(propan-2-ylamino)-2-pyridin-2-ylpyrimidine-4-carboxylic acid
CID 82169893
6-(1-carboxypentylamino)pyridine-2-carboxylic acid
CID 122060298
2-[(3-bromo-2-pyridinyl)amino]hexanoic acid
CID 122060294
2-[(6-ethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]-N-phenylpropanamide
CID 133311048

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid (CID 122062861) is (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid is CCCC[C@H](Nc1cc(C)nc(-c2ccccn2)n1)C(=O)O.
What is the InChIKey of (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is SQVLUANJJYJTBJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-4-7-13(16(21)22)19-14-10-11(2)18-15(20-14)12-8-5-6-9-17-12/h5-6,8-10,13H,3-4,7H2,1-2H3,(H,21,22)(H,18,19,20)/t13-/m0/s1.
What are the key properties of (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid?
(2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 300.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 122062861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).