3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one

C15H15N3O4 — CID 142506951

IUPAC3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one
SMILESCOc1cnc(CN2C(=O)c3ccccc3C2OC)[nH]c1=O
InChIInChI=1S/C15H15N3O4/c1-21-11-7-16-12(17-13(11)19)8-18-14(20)9-5-3-4-6-10(9)15(18)22-2/h3-7,15H,8H2,1-2H3,(H,16,17,19)
InChIKeyZCOXHSBGVPZPKZ-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.08
Rot. Bonds4

About 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one

3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one (PubChem CID 142506951) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one
PubChem CID142506951
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one
SMILESCOc1cnc(CN2C(=O)c3ccccc3C2OC)[nH]c1=O
InChIInChI=1S/C15H15N3O4/c1-21-11-7-16-12(17-13(11)19)8-18-14(20)9-5-3-4-6-10(9)15(18)22-2/h3-7,15H,8H2,1-2H3,(H,16,17,19)
InChIKeyZCOXHSBGVPZPKZ-UHFFFAOYSA-N
XLogP1.08
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one?
The IUPAC name of 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one (CID 142506951) is 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one.
What is the SMILES notation for 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one?
The canonical SMILES for 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one is COc1cnc(CN2C(=O)c3ccccc3C2OC)[nH]c1=O.
What is the InChIKey of 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one?
The InChIKey is ZCOXHSBGVPZPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-21-11-7-16-12(17-13(11)19)8-18-14(20)9-5-3-4-6-10(9)15(18)22-2/h3-7,15H,8H2,1-2H3,(H,16,17,19).
What are the key properties of 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one?
3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one has a molecular weight of 301.30 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(5-methoxy-6-oxo-1H-pyrimidin-2-yl)methyl]-3H-isoindol-1-one is sourced from PubChem (CID 142506951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).