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

C15H23N3O3 — CID 136958587

IUPAC2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1nc(NC(C(=O)O)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9(2)14-17-11(8-12(19)18-14)16-13(15(20)21)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3,(H,20,21)(H2,16,17,18,19)
InChIKeyHQYVUJBCUHQDBE-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.34
Rot. Bonds5

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

2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958587) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958587
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCC(C)c1nc(NC(C(=O)O)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C15H23N3O3/c1-9(2)14-17-11(8-12(19)18-14)16-13(15(20)21)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3,(H,20,21)(H2,16,17,18,19)
InChIKeyHQYVUJBCUHQDBE-UHFFFAOYSA-N
XLogP2.34
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958587) is 2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is CC(C)c1nc(NC(C(=O)O)C2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is HQYVUJBCUHQDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-9(2)14-17-11(8-12(19)18-14)16-13(15(20)21)10-6-4-3-5-7-10/h8-10,13H,3-7H2,1-2H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid?
2-cyclohexyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 293.37 g/mol, XLogP of 2.34, 5 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-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).