2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid

C9H12N4O4 — CID 79464278

IUPAC2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1ncccn1
InChIInChI=1S/C9H12N4O4/c14-7(15)6-17-5-4-12-9(16)13-8-10-2-1-3-11-8/h1-3H,4-6H2,(H,14,15)(H2,10,11,12,13,16)
InChIKeyOESMMHWZYFVHAC-UHFFFAOYSA-N
MW240.22 g/mol
LogP-0.30
Rot. Bonds6

About 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid

2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid (PubChem CID 79464278) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
PubChem CID79464278
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid
SMILESO=C(O)COCCNC(=O)Nc1ncccn1
InChIInChI=1S/C9H12N4O4/c14-7(15)6-17-5-4-12-9(16)13-8-10-2-1-3-11-8/h1-3H,4-6H2,(H,14,15)(H2,10,11,12,13,16)
InChIKeyOESMMHWZYFVHAC-UHFFFAOYSA-N
XLogP-0.30
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(pyrimidin-2-ylcarbamoylamino)ethyl 2-methylprop-2-enoate
CID 66827300
2-[2-[(2,6-dichlorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79464423
2-[2-[(2,6-dibromophenyl)carbamoylamino]ethoxy]acetic acid
CID 107601678
2-[2-[(4-iodophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463530
2-[2-[(4-methyl-3-pyridinyl)carbamoylamino]ethoxy]acetic acid
CID 79463656
2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457446
2-[2-[(3-bromopyridine-2-carbonyl)amino]ethoxy]acetic acid
CID 107517184
2-[2-(2-pyridin-4-ylethylcarbamoylamino)ethoxy]acetic acid
CID 79464389
2-[2-[(2,3-difluorophenyl)carbamoylamino]ethoxy]acetic acid
CID 79463827
2-[2-[(4-carbamoylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463712
2-[2-[2-[2-[2-(carboxyamino)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 86346270
2-[2-[(2-chloro-6-methylphenyl)carbamoylamino]ethoxy]acetic acid
CID 79463759

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid (CID 79464278) is 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid is O=C(O)COCCNC(=O)Nc1ncccn1.
What is the InChIKey of 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid?
The InChIKey is OESMMHWZYFVHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c14-7(15)6-17-5-4-12-9(16)13-8-10-2-1-3-11-8/h1-3H,4-6H2,(H,14,15)(H2,10,11,12,13,16).
What are the key properties of 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid?
2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid has a molecular weight of 240.22 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrimidin-2-ylcarbamoylamino)ethoxy]acetic acid is sourced from PubChem (CID 79464278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).