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

C11H14ClN3O — CID 12602866

IUPAC4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
SMILESClc1nc2c(c(N3CCOCC3)n1)CCC2
InChIInChI=1S/C11H14ClN3O/c12-11-13-9-3-1-2-8(9)10(14-11)15-4-6-16-7-5-15/h1-7H2
InChIKeyVXEKJBWTHDIDOJ-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.46
Rot. Bonds1

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

4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine (PubChem CID 12602866) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
PubChem CID12602866
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine
SMILESClc1nc2c(c(N3CCOCC3)n1)CCC2
InChIInChI=1S/C11H14ClN3O/c12-11-13-9-3-1-2-8(9)10(14-11)15-4-6-16-7-5-15/h1-7H2
InChIKeyVXEKJBWTHDIDOJ-UHFFFAOYSA-N
XLogP1.46
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine (CID 12602866) is 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine is Clc1nc2c(c(N3CCOCC3)n1)CCC2.
What is the InChIKey of 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
The InChIKey is VXEKJBWTHDIDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-11-13-9-3-1-2-8(9)10(14-11)15-4-6-16-7-5-15/h1-7H2.
What are the key properties of 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine?
4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine has a molecular weight of 239.71 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 12602866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).