2-[(5-cyanopyrimidin-4-yl)amino]acetic acid

C7H6N4O2 — CID 130541021

IUPAC2-[(5-cyanopyrimidin-4-yl)amino]acetic acid
SMILESN#Cc1cncnc1NCC(=O)O
InChIInChI=1S/C7H6N4O2/c8-1-5-2-9-4-11-7(5)10-3-6(12)13/h2,4H,3H2,(H,12,13)(H,9,10,11)
InChIKeyMKFZPRFOGYUWGT-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.16
Rot. Bonds3

About 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid

2-[(5-cyanopyrimidin-4-yl)amino]acetic acid (PubChem CID 130541021) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-cyanopyrimidin-4-yl)amino]acetic acid
PubChem CID130541021
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name2-[(5-cyanopyrimidin-4-yl)amino]acetic acid
SMILESN#Cc1cncnc1NCC(=O)O
InChIInChI=1S/C7H6N4O2/c8-1-5-2-9-4-11-7(5)10-3-6(12)13/h2,4H,3H2,(H,12,13)(H,9,10,11)
InChIKeyMKFZPRFOGYUWGT-UHFFFAOYSA-N
XLogP-0.16
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid (CID 130541021) is 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid is N#Cc1cncnc1NCC(=O)O.
What is the InChIKey of 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid?
The InChIKey is MKFZPRFOGYUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-1-5-2-9-4-11-7(5)10-3-6(12)13/h2,4H,3H2,(H,12,13)(H,9,10,11).
What are the key properties of 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid?
2-[(5-cyanopyrimidin-4-yl)amino]acetic acid has a molecular weight of 178.15 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyanopyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 130541021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).