2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid

C11H17N3O2 — CID 126849037

IUPAC2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(C(C)(C)C)ncn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-5-9(13-7-12-8)14(4)6-10(15)16/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyBCHIDDHDIAZFOG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.29
Rot. Bonds3

About 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid

2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 126849037) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid
PubChem CID126849037
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCN(CC(=O)O)c1cc(C(C)(C)C)ncn1
InChIInChI=1S/C11H17N3O2/c1-11(2,3)8-5-9(13-7-12-8)14(4)6-10(15)16/h5,7H,6H2,1-4H3,(H,15,16)
InChIKeyBCHIDDHDIAZFOG-UHFFFAOYSA-N
XLogP1.29
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-cyclopropylpyrimidin-4-yl)-methylamino]acetic acid
CID 83833677
N-[2-[(6-tert-butylpyrimidin-4-yl)-methylamino]ethyl]-N-methylmethanesulfonamide
CID 118581487
2-[methyl-(6-propoxypyrimidin-4-yl)amino]acetic acid
CID 66333585
2-[[6-(cyclopropylmethylamino)pyrimidin-4-yl]-methylamino]acetic acid
CID 120965297
2-[[6-(ethoxymethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848396
2-[[6-(cyclopropylmethyl)pyrimidin-4-yl]-methylamino]acetic acid
CID 126848240
1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266282
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-methylamino]acetic acid
CID 99980296
N-ethyl-N-methyl-6-(2-methylpentan-2-yl)pyrimidin-4-amine
CID 134483265
2-[(2-amino-2-oxoethyl)-methylamino]-6-tert-butylpyridine-4-carboxylic acid
CID 113380129
2-[methyl(pyridin-2-yl)amino]acetic acid;hydrochloride
CID 71627035
2-[methyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80779288

Frequently Asked Questions

What is the IUPAC name of 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid (CID 126849037) is 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid is CN(CC(=O)O)c1cc(C(C)(C)C)ncn1.
What is the InChIKey of 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is BCHIDDHDIAZFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(2,3)8-5-9(13-7-12-8)14(4)6-10(15)16/h5,7H,6H2,1-4H3,(H,15,16).
What are the key properties of 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid?
2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 223.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-tert-butylpyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 126849037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).