8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one

C18H19N5O3 — CID 3233870

IUPAC8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)cnc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C18H19N5O3/c1-25-14-4-2-3-13(9-14)12-23-16(24)11-19-15-10-20-18(21-17(15)23)22-5-7-26-8-6-22/h2-4,9-11H,5-8,12H2,1H3
InChIKeyFKZMILDLRLTJJU-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.08
Rot. Bonds4

About 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one

8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one (PubChem CID 3233870) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
PubChem CID3233870
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)cnc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C18H19N5O3/c1-25-14-4-2-3-13(9-14)12-23-16(24)11-19-15-10-20-18(21-17(15)23)22-5-7-26-8-6-22/h2-4,9-11H,5-8,12H2,1H3
InChIKeyFKZMILDLRLTJJU-UHFFFAOYSA-N
XLogP1.08
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one (CID 3233870) is 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one is COc1cccc(Cn2c(=O)cnc3cnc(N4CCOCC4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
The InChIKey is FKZMILDLRLTJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-25-14-4-2-3-13(9-14)12-23-16(24)11-19-15-10-20-18(21-17(15)23)22-5-7-26-8-6-22/h2-4,9-11H,5-8,12H2,1H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one?
8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one has a molecular weight of 353.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3233870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).