2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid

C6H6ClN3O3 — CID 83869006

IUPAC2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESNc1nc(=O)[nH]c(CC(=O)O)c1Cl
InChIInChI=1S/C6H6ClN3O3/c7-4-2(1-3(11)12)9-6(13)10-5(4)8/h1H2,(H,11,12)(H3,8,9,10,13)
InChIKeyABTJGUURZQPAGM-UHFFFAOYSA-N
MW203.58 g/mol
LogP-0.37
Rot. Bonds2

About 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid

2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid (PubChem CID 83869006) has the molecular formula C6H6ClN3O3 and a molecular weight of 203.58 g/mol. Its IUPAC name is 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid
PubChem CID83869006
Molecular FormulaC6H6ClN3O3
Molecular Weight203.58 g/mol
Exact Mass203.01
IUPAC Name2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid
SMILESNc1nc(=O)[nH]c(CC(=O)O)c1Cl
InChIInChI=1S/C6H6ClN3O3/c7-4-2(1-3(11)12)9-6(13)10-5(4)8/h1H2,(H,11,12)(H3,8,9,10,13)
InChIKeyABTJGUURZQPAGM-UHFFFAOYSA-N
XLogP-0.37
TPSA109.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.58
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The IUPAC name of 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid (CID 83869006) is 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid.
What is the SMILES notation for 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The canonical SMILES for 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid is Nc1nc(=O)[nH]c(CC(=O)O)c1Cl.
What is the InChIKey of 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid?
The InChIKey is ABTJGUURZQPAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O3/c7-4-2(1-3(11)12)9-6(13)10-5(4)8/h1H2,(H,11,12)(H3,8,9,10,13).
What are the key properties of 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid?
2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid has a molecular weight of 203.58 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-5-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid is sourced from PubChem (CID 83869006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).