8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one

C19H21N5O3 — CID 3232813

IUPAC8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C19H21N5O3/c1-13-18(25)24(12-14-4-3-5-15(10-14)26-2)17-16(21-13)11-20-19(22-17)23-6-8-27-9-7-23/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyXHUCKZSGJQGKGN-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.39
Rot. Bonds4

About 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one

8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one (PubChem CID 3232813) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
PubChem CID3232813
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C19H21N5O3/c1-13-18(25)24(12-14-4-3-5-15(10-14)26-2)17-16(21-13)11-20-19(22-17)23-6-8-27-9-7-23/h3-5,10-11H,6-9,12H2,1-2H3
InChIKeyXHUCKZSGJQGKGN-UHFFFAOYSA-N
XLogP1.39
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one (CID 3232813) is 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one is COc1cccc(Cn2c(=O)c(C)nc3cnc(N4CCOCC4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one?
The InChIKey is XHUCKZSGJQGKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-18(25)24(12-14-4-3-5-15(10-14)26-2)17-16(21-13)11-20-19(22-17)23-6-8-27-9-7-23/h3-5,10-11H,6-9,12H2,1-2H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one?
8-[(3-methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one has a molecular weight of 367.41 g/mol, XLogP of 1.39, 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]-6-methyl-2-morpholin-4-ylpteridin-7-one is sourced from PubChem (CID 3232813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).