2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid

C11H17N3O4 — CID 136958654

IUPAC2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
SMILESCCc1nc(N(CCOC)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-3-8-12-9(6-10(15)13-8)14(4-5-18-2)7-11(16)17/h6H,3-5,7H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyVIRKEMWBDZKNCN-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.13
Rot. Bonds7

About 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid

2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid (PubChem CID 136958654) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
PubChem CID136958654
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid
SMILESCCc1nc(N(CCOC)CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O4/c1-3-8-12-9(6-10(15)13-8)14(4-5-18-2)7-11(16)17/h6H,3-5,7H2,1-2H3,(H,16,17)(H,12,13,15)
InChIKeyVIRKEMWBDZKNCN-UHFFFAOYSA-N
XLogP-0.13
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetate
CID 135905419
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 136959233
2-(4-Morpholino-6-oxo-1,6-dihydropyrimidin-2-yl)acetic acid
CID 135905420
ethyl 2-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethylcarbamoylamino]acetate
CID 136344715
ethyl 2-[4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetate
CID 136619536
2-[4-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)-6-oxo-1H-pyrimidin-2-yl]acetic acid
CID 136619537
ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate;molecular hydrogen
CID 144410229
ethane;ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 144410234
ethane;ethyl 2-(4-morpholin-4-yl-6-oxo-1H-pyrimidin-2-yl)acetate
CID 144410239
2-[2-(dimethylamino)ethyl-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734033
2-[2-(dimethylamino)ethyl-(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734035
2-[2-(dimethylamino)ethyl-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136734037

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid (CID 136958654) is 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid is CCc1nc(N(CCOC)CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid?
The InChIKey is VIRKEMWBDZKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-3-8-12-9(6-10(15)13-8)14(4-5-18-2)7-11(16)17/h6H,3-5,7H2,1-2H3,(H,16,17)(H,12,13,15).
What are the key properties of 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid?
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid has a molecular weight of 255.27 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 136958654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).