2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid

C14H21N3O3 — CID 66318107

IUPAC2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid
SMILESCCOc1cc(NC(C(=O)O)C2CCCCC2)ncn1
InChIInChI=1S/C14H21N3O3/c1-2-20-12-8-11(15-9-16-12)17-13(14(18)19)10-6-4-3-5-7-10/h8-10,13H,2-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyOWDZQPTZLQDADA-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.32
Rot. Bonds6

About 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid

2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid (PubChem CID 66318107) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid
PubChem CID66318107
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid
SMILESCCOc1cc(NC(C(=O)O)C2CCCCC2)ncn1
InChIInChI=1S/C14H21N3O3/c1-2-20-12-8-11(15-9-16-12)17-13(14(18)19)10-6-4-3-5-7-10/h8-10,13H,2-7H2,1H3,(H,18,19)(H,15,16,17)
InChIKeyOWDZQPTZLQDADA-UHFFFAOYSA-N
XLogP2.32
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid (CID 66318107) is 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid is CCOc1cc(NC(C(=O)O)C2CCCCC2)ncn1.
What is the InChIKey of 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid?
The InChIKey is OWDZQPTZLQDADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-2-20-12-8-11(15-9-16-12)17-13(14(18)19)10-6-4-3-5-7-10/h8-10,13H,2-7H2,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid?
2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid has a molecular weight of 279.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(6-ethoxypyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 66318107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).