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

C12H17N3O3 — CID 136958586

IUPAC2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)C(Nc1cc(=O)[nH]cn1)C1CCCCC1
InChIInChI=1S/C12H17N3O3/c16-10-6-9(13-7-14-10)15-11(12(17)18)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,17,18)(H2,13,14,15,16)
InChIKeyTUEUQVIIIJVLQY-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.22
Rot. Bonds4

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

2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958586) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958586
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESO=C(O)C(Nc1cc(=O)[nH]cn1)C1CCCCC1
InChIInChI=1S/C12H17N3O3/c16-10-6-9(13-7-14-10)15-11(12(17)18)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,17,18)(H2,13,14,15,16)
InChIKeyTUEUQVIIIJVLQY-UHFFFAOYSA-N
XLogP1.22
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958586) is 2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is O=C(O)C(Nc1cc(=O)[nH]cn1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is TUEUQVIIIJVLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c16-10-6-9(13-7-14-10)15-11(12(17)18)8-4-2-1-3-5-8/h6-8,11H,1-5H2,(H,17,18)(H2,13,14,15,16).
What are the key properties of 2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).