4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine

C10H13ClN4O — CID 59244529

IUPAC4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESClc1nc(N2CCOCC2)nc2c1CCN2
InChIInChI=1S/C10H13ClN4O/c11-8-7-1-2-12-9(7)14-10(13-8)15-3-5-16-6-4-15/h1-6H2,(H,12,13,14)
InChIKeyHJKLIAHEHBRTMC-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.93
Rot. Bonds1

About 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine

4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine (PubChem CID 59244529) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine
PubChem CID59244529
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine
SMILESClc1nc(N2CCOCC2)nc2c1CCN2
InChIInChI=1S/C10H13ClN4O/c11-8-7-1-2-12-9(7)14-10(13-8)15-3-5-16-6-4-15/h1-6H2,(H,12,13,14)
InChIKeyHJKLIAHEHBRTMC-UHFFFAOYSA-N
XLogP0.93
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The IUPAC name of 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine (CID 59244529) is 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine is Clc1nc(N2CCOCC2)nc2c1CCN2.
What is the InChIKey of 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
The InChIKey is HJKLIAHEHBRTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c11-8-7-1-2-12-9(7)14-10(13-8)15-3-5-16-6-4-15/h1-6H2,(H,12,13,14).
What are the key properties of 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine?
4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine has a molecular weight of 240.69 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholine is sourced from PubChem (CID 59244529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).