5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one

C15H19N3O4 — CID 53004435

IUPAC5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(CCC(=O)N3CCOCC3)c(=O)c2c1C
InChIInChI=1S/C15H19N3O4/c1-10-11(2)22-14-13(10)15(20)18(9-16-14)4-3-12(19)17-5-7-21-8-6-17/h9H,3-8H2,1-2H3
InChIKeyPWSAGGVYMHLVAZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.86
Rot. Bonds3

About 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one

5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one (PubChem CID 53004435) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one
PubChem CID53004435
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one
SMILESCc1oc2ncn(CCC(=O)N3CCOCC3)c(=O)c2c1C
InChIInChI=1S/C15H19N3O4/c1-10-11(2)22-14-13(10)15(20)18(9-16-14)4-3-12(19)17-5-7-21-8-6-17/h9H,3-8H2,1-2H3
InChIKeyPWSAGGVYMHLVAZ-UHFFFAOYSA-N
XLogP0.86
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one (CID 53004435) is 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one is Cc1oc2ncn(CCC(=O)N3CCOCC3)c(=O)c2c1C.
What is the InChIKey of 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one?
The InChIKey is PWSAGGVYMHLVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-10-11(2)22-14-13(10)15(20)18(9-16-14)4-3-12(19)17-5-7-21-8-6-17/h9H,3-8H2,1-2H3.
What are the key properties of 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one?
5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one has a molecular weight of 305.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)furo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 53004435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).