2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid

C14H22N4O3 — CID 120965265

IUPAC2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCc1cc(N2CCOC(CN(C)CC(=O)O)C2)nc(C)n1
InChIInChI=1S/C14H22N4O3/c1-10-6-13(16-11(2)15-10)18-4-5-21-12(8-18)7-17(3)9-14(19)20/h6,12H,4-5,7-9H2,1-3H3,(H,19,20)
InChIKeyCNXJUJGHXQFXLZ-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.32
Rot. Bonds5

About 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid

2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid (PubChem CID 120965265) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
PubChem CID120965265
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid
SMILESCc1cc(N2CCOC(CN(C)CC(=O)O)C2)nc(C)n1
InChIInChI=1S/C14H22N4O3/c1-10-6-13(16-11(2)15-10)18-4-5-21-12(8-18)7-17(3)9-14(19)20/h6,12H,4-5,7-9H2,1-3H3,(H,19,20)
InChIKeyCNXJUJGHXQFXLZ-UHFFFAOYSA-N
XLogP0.32
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid (CID 120965265) is 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid is Cc1cc(N2CCOC(CN(C)CC(=O)O)C2)nc(C)n1.
What is the InChIKey of 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid?
The InChIKey is CNXJUJGHXQFXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10-6-13(16-11(2)15-10)18-4-5-21-12(8-18)7-17(3)9-14(19)20/h6,12H,4-5,7-9H2,1-3H3,(H,19,20).
What are the key properties of 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid?
2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid has a molecular weight of 294.36 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2,6-dimethylpyrimidin-4-yl)morpholin-2-yl]methyl-methylamino]acetic acid is sourced from PubChem (CID 120965265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).