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

C14H21N3O3 — CID 136958591

IUPAC2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCc1nc(NC(C(=O)O)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-2-10-15-11(8-12(18)16-10)17-13(14(19)20)9-6-4-3-5-7-9/h8-9,13H,2-7H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyHEDGWBAIFWUQNI-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.78
Rot. Bonds5

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

2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958591) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958591
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCCc1nc(NC(C(=O)O)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C14H21N3O3/c1-2-10-15-11(8-12(18)16-10)17-13(14(19)20)9-6-4-3-5-7-9/h8-9,13H,2-7H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyHEDGWBAIFWUQNI-UHFFFAOYSA-N
XLogP1.78
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958591) is 2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is CCc1nc(NC(C(=O)O)C2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is HEDGWBAIFWUQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-10-15-11(8-12(18)16-10)17-13(14(19)20)9-6-4-3-5-7-9/h8-9,13H,2-7H2,1H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).