2-phenylpropan-2-yl pyrimidine-2-carboxylate

C14H14N2O2 — CID 90711352

IUPAC2-phenylpropan-2-yl pyrimidine-2-carboxylate
SMILESCC(C)(OC(=O)c1ncccn1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-14(2,11-7-4-3-5-8-11)18-13(17)12-15-9-6-10-16-12/h3-10H,1-2H3
InChIKeyBOYKSLHEROBZNV-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.57
Rot. Bonds3

About 2-phenylpropan-2-yl pyrimidine-2-carboxylate

2-phenylpropan-2-yl pyrimidine-2-carboxylate (PubChem CID 90711352) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 2-phenylpropan-2-yl pyrimidine-2-carboxylate.

Molecular Properties

Compound Name2-phenylpropan-2-yl pyrimidine-2-carboxylate
PubChem CID90711352
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name2-phenylpropan-2-yl pyrimidine-2-carboxylate
SMILESCC(C)(OC(=O)c1ncccn1)c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-14(2,11-7-4-3-5-8-11)18-13(17)12-15-9-6-10-16-12/h3-10H,1-2H3
InChIKeyBOYKSLHEROBZNV-UHFFFAOYSA-N
XLogP2.57
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylpropan-2-yl 2,2-dimethylbutanoate
CID 18730969
2-phenylpropan-2-yl carbamate;triazine
CID 175317110
2-phenylpropan-2-yl carbamate;propane
CID 175117543
2-phenylpropan-2-yl 3-oxobutanoate
CID 13319262
2-phenylpropan-2-yl 4-nitrobenzoate
CID 4207354
2-phenylpropan-2-yl 4-benzamidobenzoate
CID 58709253
2-(3-tert-butylphenyl)propan-2-yl hydrogen carbonate
CID 67162008
2-phenylpropan-2-yl 1H-imidazole-2-carboperoxoate
CID 139777627
tert-butyl 2,2,2-triphenylacetate;hydrogen peroxide
CID 174664507
carboxy hydrogen carbonate;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 175134122
tert-butyl 4-iodopyrimidine-2-carboxylate
CID 133058784
2-phenylpropan-2-yl cyclopent-3-ene-1-carboxylate
CID 59475015

Frequently Asked Questions

What is the IUPAC name of 2-phenylpropan-2-yl pyrimidine-2-carboxylate?
The IUPAC name of 2-phenylpropan-2-yl pyrimidine-2-carboxylate (CID 90711352) is 2-phenylpropan-2-yl pyrimidine-2-carboxylate.
What is the SMILES notation for 2-phenylpropan-2-yl pyrimidine-2-carboxylate?
The canonical SMILES for 2-phenylpropan-2-yl pyrimidine-2-carboxylate is CC(C)(OC(=O)c1ncccn1)c1ccccc1.
What is the InChIKey of 2-phenylpropan-2-yl pyrimidine-2-carboxylate?
The InChIKey is BOYKSLHEROBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-14(2,11-7-4-3-5-8-11)18-13(17)12-15-9-6-10-16-12/h3-10H,1-2H3.
What are the key properties of 2-phenylpropan-2-yl pyrimidine-2-carboxylate?
2-phenylpropan-2-yl pyrimidine-2-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpropan-2-yl pyrimidine-2-carboxylate is sourced from PubChem (CID 90711352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).