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

C12H19N3O2 — CID 103241040

IUPAC2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid
SMILESCCCCC(NCc1ccnc(C)n1)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-3-4-5-11(12(16)17)14-8-10-6-7-13-9(2)15-10/h6-7,11,14H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyCQRGDURWBJGQAX-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.52
Rot. Bonds7

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

2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid (PubChem CID 103241040) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid
PubChem CID103241040
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid
SMILESCCCCC(NCc1ccnc(C)n1)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-3-4-5-11(12(16)17)14-8-10-6-7-13-9(2)15-10/h6-7,11,14H,3-5,8H2,1-2H3,(H,16,17)
InChIKeyCQRGDURWBJGQAX-UHFFFAOYSA-N
XLogP1.52
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-methylpyrimidin-4-yl)amino]hexanoic acid
CID 122062830
2-(pyridin-4-ylmethylamino)hexanoic acid
CID 103236246
(2R)-4-hydroxy-2-[(2-methylpyrimidin-4-yl)methylcarbamoylamino]butanoic acid
CID 107827257
(2R)-2-(benzylamino)hexanoic acid
CID 129366307
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 114897739
2-[(2-methyl-1,3-thiazol-5-yl)methylamino]hexanoic acid
CID 103243285
2-[(2-fluorophenyl)methylamino]hexanoic acid
CID 82364371
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
2-[(2-phenylpyrimidin-5-yl)methylamino]hexanoic acid
CID 91671248
2-[(2-methylpyrimidin-4-yl)methylsulfamoyl]propanoic acid
CID 54947709
2-[(2-methylpyrimidin-4-yl)methylamino]-N-prop-2-ynylpropanamide
CID 54901602

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid?
The IUPAC name of 2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid (CID 103241040) is 2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid.
What is the SMILES notation for 2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid?
The canonical SMILES for 2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid is CCCCC(NCc1ccnc(C)n1)C(=O)O.
What is the InChIKey of 2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid?
The InChIKey is CQRGDURWBJGQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-4-5-11(12(16)17)14-8-10-6-7-13-9(2)15-10/h6-7,11,14H,3-5,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid?
2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid has a molecular weight of 237.30 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-4-yl)methylamino]hexanoic acid is sourced from PubChem (CID 103241040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).