cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate

C15H23N3O2 — CID 99817845

IUPACcyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate
SMILESCC(C)c1nccc(NCC(=O)OC2CCCCC2)n1
InChIInChI=1S/C15H23N3O2/c1-11(2)15-16-9-8-13(18-15)17-10-14(19)20-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,17,18)
InChIKeyRQJQKQCAKNZABY-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.89
Rot. Bonds5

About cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate

cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate (PubChem CID 99817845) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate
PubChem CID99817845
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namecyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate
SMILESCC(C)c1nccc(NCC(=O)OC2CCCCC2)n1
InChIInChI=1S/C15H23N3O2/c1-11(2)15-16-9-8-13(18-15)17-10-14(19)20-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,17,18)
InChIKeyRQJQKQCAKNZABY-UHFFFAOYSA-N
XLogP2.89
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate?
The IUPAC name of cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate (CID 99817845) is cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate.
What is the SMILES notation for cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate?
The canonical SMILES for cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate is CC(C)c1nccc(NCC(=O)OC2CCCCC2)n1.
What is the InChIKey of cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate?
The InChIKey is RQJQKQCAKNZABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(2)15-16-9-8-13(18-15)17-10-14(19)20-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3,(H,16,17,18).
What are the key properties of cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate?
cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate has a molecular weight of 277.37 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(2-propan-2-ylpyrimidin-4-yl)amino]acetate is sourced from PubChem (CID 99817845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).