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

C13H19N3O3 — CID 136958589

IUPAC2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(NC(C(=O)O)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-8-14-10(7-11(17)15-8)16-12(13(18)19)9-5-3-2-4-6-9/h7,9,12H,2-6H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyIAVHLFXDQKQWNC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.52
Rot. Bonds4

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

2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (PubChem CID 136958589) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
PubChem CID136958589
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
SMILESCc1nc(NC(C(=O)O)C2CCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H19N3O3/c1-8-14-10(7-11(17)15-8)16-12(13(18)19)9-5-3-2-4-6-9/h7,9,12H,2-6H2,1H3,(H,18,19)(H2,14,15,16,17)
InChIKeyIAVHLFXDQKQWNC-UHFFFAOYSA-N
XLogP1.52
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.52
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-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid (CID 136958589) is 2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is Cc1nc(NC(C(=O)O)C2CCCCC2)cc(=O)[nH]1.
What is the InChIKey of 2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
The InChIKey is IAVHLFXDQKQWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-14-10(7-11(17)15-8)16-12(13(18)19)9-5-3-2-4-6-9/h7,9,12H,2-6H2,1H3,(H,18,19)(H2,14,15,16,17).
What are the key properties of 2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid?
2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 136958589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).