4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C12H15ClN2O — CID 62386841

IUPAC4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(C2CCOCC2)nc2c1CCC2
InChIInChI=1S/C12H15ClN2O/c13-11-9-2-1-3-10(9)14-12(15-11)8-4-6-16-7-5-8/h8H,1-7H2
InChIKeyHQQXHASSGTVENV-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.51
Rot. Bonds1

About 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 62386841) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID62386841
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESClc1nc(C2CCOCC2)nc2c1CCC2
InChIInChI=1S/C12H15ClN2O/c13-11-9-2-1-3-10(9)14-12(15-11)8-4-6-16-7-5-8/h8H,1-7H2
InChIKeyHQQXHASSGTVENV-UHFFFAOYSA-N
XLogP2.51
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 62386841) is 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Clc1nc(C2CCOCC2)nc2c1CCC2.
What is the InChIKey of 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is HQQXHASSGTVENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c13-11-9-2-1-3-10(9)14-12(15-11)8-4-6-16-7-5-8/h8H,1-7H2.
What are the key properties of 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 238.72 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(oxan-4-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 62386841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).