2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid

C8H11N3O3 — CID 135840405

IUPAC2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
SMILESCCNc1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-2-9-8-10-5(4-7(13)14)3-6(12)11-8/h3H,2,4H2,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyWSGUAYQFFRJFMB-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.17
Rot. Bonds4

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

2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid (PubChem CID 135840405) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
PubChem CID135840405
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Name2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid
SMILESCCNc1nc(CC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C8H11N3O3/c1-2-9-8-10-5(4-7(13)14)3-6(12)11-8/h3H,2,4H2,1H3,(H,13,14)(H2,9,10,11,12)
InChIKeyWSGUAYQFFRJFMB-UHFFFAOYSA-N
XLogP-0.17
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The IUPAC name of 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid (CID 135840405) is 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The canonical SMILES for 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid is CCNc1nc(CC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
The InChIKey is WSGUAYQFFRJFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-2-9-8-10-5(4-7(13)14)3-6(12)11-8/h3H,2,4H2,1H3,(H,13,14)(H2,9,10,11,12).
What are the key properties of 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid?
2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid has a molecular weight of 197.19 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-6-oxo-1H-pyrimidin-4-yl]acetic acid is sourced from PubChem (CID 135840405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).