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

C9H13N3O3 — CID 136958445

IUPAC2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1nc(NCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-5(2)9-11-6(3-7(13)12-9)10-4-8(14)15/h3,5H,4H2,1-2H3,(H,14,15)(H2,10,11,12,13)
InChIKeyIEZJKARDLIVEQJ-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.39
Rot. Bonds4

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

2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958445) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958445
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1nc(NCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C9H13N3O3/c1-5(2)9-11-6(3-7(13)12-9)10-4-8(14)15/h3,5H,4H2,1-2H3,(H,14,15)(H2,10,11,12,13)
InChIKeyIEZJKARDLIVEQJ-UHFFFAOYSA-N
XLogP0.39
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958445) is 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is CC(C)c1nc(NCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is IEZJKARDLIVEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5(2)9-11-6(3-7(13)12-9)10-4-8(14)15/h3,5H,4H2,1-2H3,(H,14,15)(H2,10,11,12,13).
What are the key properties of 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 211.22 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).