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

C6H5ClFN3O2 — CID 91690988

IUPAC2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C6H5ClFN3O2/c7-6-10-1-3(8)5(11-6)9-2-4(12)13/h1H,2H2,(H,12,13)(H,9,10,11)
InChIKeyPZAPCGJCQWRJAZ-UHFFFAOYSA-N
MW205.58 g/mol
LogP0.77
Rot. Bonds3

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

2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid (PubChem CID 91690988) has the molecular formula C6H5ClFN3O2 and a molecular weight of 205.58 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid
PubChem CID91690988
Molecular FormulaC6H5ClFN3O2
Molecular Weight205.58 g/mol
Exact Mass205.01
IUPAC Name2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)CNc1nc(Cl)ncc1F
InChIInChI=1S/C6H5ClFN3O2/c7-6-10-1-3(8)5(11-6)9-2-4(12)13/h1H,2H2,(H,12,13)(H,9,10,11)
InChIKeyPZAPCGJCQWRJAZ-UHFFFAOYSA-N
XLogP0.77
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.58
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid (CID 91690988) is 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid is O=C(O)CNc1nc(Cl)ncc1F.
What is the InChIKey of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid?
The InChIKey is PZAPCGJCQWRJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFN3O2/c7-6-10-1-3(8)5(11-6)9-2-4(12)13/h1H,2H2,(H,12,13)(H,9,10,11).
What are the key properties of 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid?
2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid has a molecular weight of 205.58 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluoropyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 91690988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).