2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C9H11ClN2O — CID 12933869

IUPAC2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCOc1nc(Cl)nc2c1CCC2
InChIInChI=1S/C9H11ClN2O/c1-2-13-8-6-4-3-5-7(6)11-9(10)12-8/h2-5H2,1H3
InChIKeyXGRGIJVOCGBPIO-UHFFFAOYSA-N
MW198.65 g/mol
LogP2.02
Rot. Bonds2

About 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 12933869) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID12933869
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCCOc1nc(Cl)nc2c1CCC2
InChIInChI=1S/C9H11ClN2O/c1-2-13-8-6-4-3-5-7(6)11-9(10)12-8/h2-5H2,1H3
InChIKeyXGRGIJVOCGBPIO-UHFFFAOYSA-N
XLogP2.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-amino-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)oxy]-2,2-dimethylpropan-1-ol
CID 122536483
2-Methoxy-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 46885007
6-(Bromomethyl)-4-methyl-5,6-dihydrofuro[2,3-d]pyrimidin-2-amine
CID 536282
2-Chloro-4-ethoxy-6-ethyl-5-fluoropyrimidine
CID 58252163
2-Chloro-5-fluoro-4-methoxy-6-propylpyrimidine
CID 58252170
2-Chloro-4-cyclopropyl-5-fluoro-6-methoxypyrimidine
CID 58252174
4-Cyclopropyl-6-(2-fluoroethoxy)-5-methylpyrimidine
CID 148058715
7,7-Difluoro-2,4-dimethoxy-5,6-dihydrocyclopenta[d]pyrimidine
CID 156555746
4-Cyclopropyl-5-ethyl-6-(2-fluoroethoxy)pyrimidine
CID 169811469
5-fluoro-2,4,5-trimethyl-6H-furo[2,3-d]pyrimidine
CID 176758446
4-Cyclopropyl-2-fluoro-6-methoxy-5-methylpyrimidine
CID 176758482
5-Fluoro-2,4-dimethyl-5,6-dihydrofuro[2,3-d]pyrimidine
CID 177024349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 12933869) is 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CCOc1nc(Cl)nc2c1CCC2.
What is the InChIKey of 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is XGRGIJVOCGBPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-2-13-8-6-4-3-5-7(6)11-9(10)12-8/h2-5H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 198.65 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 12933869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).