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

C11H17N3O2 — CID 62959796

IUPAC2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nccc(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-3-4-5-9(10(15)16)14-11-12-7-6-8(2)13-11/h6-7,9H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyYZNYZLSGQNRZBD-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.84
Rot. Bonds6

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

2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid (PubChem CID 62959796) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
PubChem CID62959796
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
SMILESCCCCC(Nc1nccc(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-3-4-5-9(10(15)16)14-11-12-7-6-8(2)13-11/h6-7,9H,3-5H2,1-2H3,(H,15,16)(H,12,13,14)
InChIKeyYZNYZLSGQNRZBD-UHFFFAOYSA-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

(2S)-2-[(4-tert-butylpyrimidin-2-yl)amino]hexanoic acid
CID 122062726
(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
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-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid
CID 135088959
2-[(2-phenylpyrimidin-4-yl)amino]hexanoic acid
CID 122060341
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
(2S)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]hexanoic acid
CID 122062838
2-[(4-methyl-1,3-thiazol-2-yl)amino]hexanoic acid
CID 43470226
2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid
CID 103241040
2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid
CID 122060540
2-[(7-hydroxyisoquinolin-1-yl)amino]hexanoic acid
CID 106535962

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid?
The IUPAC name of 2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid (CID 62959796) is 2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid is CCCCC(Nc1nccc(C)n1)C(=O)O.
What is the InChIKey of 2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid?
The InChIKey is YZNYZLSGQNRZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-4-5-9(10(15)16)14-11-12-7-6-8(2)13-11/h6-7,9H,3-5H2,1-2H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid?
2-[(4-methylpyrimidin-2-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 2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 62959796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).