ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate

C21H18N2O2 — CID 157435209

IUPACethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C21H18N2O2/c1-2-25-21(24)14-12-22-20(23-13-14)11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,12-13,19H,2,11H2,1H3
InChIKeyABKGVUZEDZDFJL-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.01
Rot. Bonds4

About ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate

ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate (PubChem CID 157435209) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate
PubChem CID157435209
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Nameethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC2c3ccccc3-c3ccccc32)nc1
InChIInChI=1S/C21H18N2O2/c1-2-25-21(24)14-12-22-20(23-13-14)11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,12-13,19H,2,11H2,1H3
InChIKeyABKGVUZEDZDFJL-UHFFFAOYSA-N
XLogP4.01
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-chloropyrimidine-5-carboxylate;ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate;9H-fluoren-9-amine;fluoren-9-one;2-(9H-fluoren-9-ylmethyl)-N-hydroxypyrimidine-5-carboxamide;hydroxylamine;methane
CID 157435207
ethyl 2-(9H-fluoren-9-ylamino)pyrimidine-5-carboxylate
CID 67679226
ethyl 2-[(1-phenylcyclopropyl)methyl]pyrimidine-5-carboxylate
CID 159864160
[2-(9H-fluoren-9-ylamino)-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 31172509
ethyl (1S,2R,10R,11S)-9,18-dioxa-4-azapentacyclo[9.6.1.02,10.03,8.012,17]octadeca-3(8),4,6,12,14,16-hexaene-6-carboxylate
CID 23258988
CID 158970570
CID 158970570
1-(5-ethoxycarbonylpyrimidin-2-yl)azetidine-3-carboxylic acid
CID 176954225
ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
CID 145295764
ethyl 4-[5-(2-acetyloxyphenyl)pyrimidin-2-yl]benzoate
CID 139878694
ethyl 2-cyclopropylbenzoate
CID 118105330
ethyl 6-(aminomethyl)pyridine-3-carboxylate;hydrochloride
CID 57360953
ethyl 4-[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]oxybenzoate
CID 101132857

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate (CID 157435209) is ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC2c3ccccc3-c3ccccc32)nc1.
What is the InChIKey of ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate?
The InChIKey is ABKGVUZEDZDFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-2-25-21(24)14-12-22-20(23-13-14)11-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,12-13,19H,2,11H2,1H3.
What are the key properties of ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate?
ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate has a molecular weight of 330.39 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(9H-fluoren-9-ylmethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 157435209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).