2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid

C10H15N3O2 — CID 61012125

IUPAC2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1nc(C)cc(C)n1
InChIInChI=1S/C10H15N3O2/c1-4-13(6-9(14)15)10-11-7(2)5-8(3)12-10/h5H,4,6H2,1-3H3,(H,14,15)
InChIKeyLNAAPUPLFKHQSG-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.00
Rot. Bonds4

About 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid

2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid (PubChem CID 61012125) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
PubChem CID61012125
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid
SMILESCCN(CC(=O)O)c1nc(C)cc(C)n1
InChIInChI=1S/C10H15N3O2/c1-4-13(6-9(14)15)10-11-7(2)5-8(3)12-10/h5H,4,6H2,1-3H3,(H,14,15)
InChIKeyLNAAPUPLFKHQSG-UHFFFAOYSA-N
XLogP1.00
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4,6-dimethoxypyrimidin-2-yl)-ethylamino]acetic acid
CID 115354708
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]ethanol
CID 61147655
1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79390171
N,N-diethyl-4,6-dimethylpyrimidin-2-amine;ethane;propane;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173412353
2-[(4-methoxy-6-methylpyrimidin-2-yl)-prop-2-enylamino]acetic acid
CID 112634556
ethyl 2-[(4-cyano-6-methylpyrimidin-2-yl)-ethylamino]acetate
CID 107544090
N-tert-butyl-2-(diethylamino)-6-methylpyrimidine-4-carboxamide
CID 109332208
2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid
CID 63644575
2-[(4-carbamothioyl-6-methylpyrimidin-2-yl)-ethylamino]-N-ethylacetamide
CID 107547005
2-[carboxymethyl-(4-cyano-6-methyl-2-pyridinyl)amino]acetic acid
CID 114765403
4-tert-butyl-N,N-diethyl-6-methylpyrimidin-2-amine
CID 138487090
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)-propylamino]acetic acid
CID 54948987

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid?
The IUPAC name of 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid (CID 61012125) is 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid?
The canonical SMILES for 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid is CCN(CC(=O)O)c1nc(C)cc(C)n1.
What is the InChIKey of 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid?
The InChIKey is LNAAPUPLFKHQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-13(6-9(14)15)10-11-7(2)5-8(3)12-10/h5H,4,6H2,1-3H3,(H,14,15).
What are the key properties of 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid?
2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid has a molecular weight of 209.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]acetic acid is sourced from PubChem (CID 61012125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).