(7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one

C12H15ClN4O2 — CID 86338948

IUPAC(7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one
SMILESC[C@H]1C(=O)N(C)c2c1nc(Cl)nc2N1CCOCC1
InChIInChI=1S/C12H15ClN4O2/c1-7-8-9(16(2)11(7)18)10(15-12(13)14-8)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeySPNJDWRCACBKJQ-SSDOTTSWSA-N
MW282.73 g/mol
LogP1.05
Rot. Bonds1

About (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one

(7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one (PubChem CID 86338948) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one.

Molecular Properties

Compound Name(7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one
PubChem CID86338948
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name(7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one
SMILESC[C@H]1C(=O)N(C)c2c1nc(Cl)nc2N1CCOCC1
InChIInChI=1S/C12H15ClN4O2/c1-7-8-9(16(2)11(7)18)10(15-12(13)14-8)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeySPNJDWRCACBKJQ-SSDOTTSWSA-N
XLogP1.05
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one?
The IUPAC name of (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one (CID 86338948) is (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one.
What is the SMILES notation for (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one?
The canonical SMILES for (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one is C[C@H]1C(=O)N(C)c2c1nc(Cl)nc2N1CCOCC1.
What is the InChIKey of (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one?
The InChIKey is SPNJDWRCACBKJQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-7-8-9(16(2)11(7)18)10(15-12(13)14-8)17-3-5-19-6-4-17/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one?
(7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one has a molecular weight of 282.73 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-chloro-5,7-dimethyl-4-morpholin-4-yl-7H-pyrrolo[3,2-d]pyrimidin-6-one is sourced from PubChem (CID 86338948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).