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

C22H21N5O3S — CID 3233126

IUPAC8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C22H21N5O3S/c1-29-16-5-2-4-15(12-16)14-27-20-17(24-19(21(27)28)18-6-3-11-31-18)13-23-22(25-20)26-7-9-30-10-8-26/h2-6,11-13H,7-10,14H2,1H3
InChIKeyDMIXGFLEYCRSLX-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.81
Rot. Bonds5

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

8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233126) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
PubChem CID3233126
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one
SMILESCOc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)c1
InChIInChI=1S/C22H21N5O3S/c1-29-16-5-2-4-15(12-16)14-27-20-17(24-19(21(27)28)18-6-3-11-31-18)13-23-22(25-20)26-7-9-30-10-8-26/h2-6,11-13H,7-10,14H2,1H3
InChIKeyDMIXGFLEYCRSLX-UHFFFAOYSA-N
XLogP2.81
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

(7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one
CID 137347776
Pyrido[2,3-d]pyrimidin-7-one deriv. 29
CID 5328642
6-(4-Methoxyphenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3234621
6-(4-Methoxyphenyl)-2-(4-methylpiperazin-1-yl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232597
2-Methoxy-6-(4-methoxyphenyl)-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232612
2-(Dimethylamino)-8-[(3-methoxyphenyl)methyl]-6-(2-phenylethyl)pteridin-7-one
CID 3232624
6-(4-Fluorophenyl)-8-[(3-methoxyphenyl)methyl]-2-morpholin-4-ylpteridin-7-one
CID 3232759
2-(3-Chlorophenoxy)-8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
CID 3232765
2-(Ethylamino)-8-[(3-methoxyphenyl)methyl]-6-thiophen-2-ylpteridin-7-one
CID 3232773
8-[(3-Methoxyphenyl)methyl]-2-morpholin-4-yl-6-(2-phenylethyl)pteridin-7-one
CID 3232791
8-[(3-Methoxyphenyl)methyl]-6-methyl-2-morpholin-4-ylpteridin-7-one
CID 3232813
6-Methyl-2-phenoxy-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3232833

Frequently Asked Questions

What is the IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one (CID 3233126) is 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one is COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)c1.
What is the InChIKey of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is DMIXGFLEYCRSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-29-16-5-2-4-15(12-16)14-27-20-17(24-19(21(27)28)18-6-3-11-31-18)13-23-22(25-20)26-7-9-30-10-8-26/h2-6,11-13H,7-10,14H2,1H3.
What are the key properties of 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one?
8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 435.51 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-methoxyphenyl)methyl]-2-morpholin-4-yl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).