6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one

C28H31N5O3 — CID 140762421

IUPAC6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2COCCN2)c1
InChIInChI=1S/C28H31N5O3/c1-18-9-19(2)11-20(10-18)24-13-30-27-26(25(24)15-32(3)14-21-16-36-8-7-29-21)28(35)33(17-31-27)22-5-4-6-23(34)12-22/h4-6,9-13,17,21,29,34H,7-8,14-16H2,1-3H3
InChIKeyXZHSBLYPWZIMLY-UHFFFAOYSA-N
MW485.59 g/mol
LogP3.19
Rot. Bonds6

About 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one

6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one (PubChem CID 140762421) has the molecular formula C28H31N5O3 and a molecular weight of 485.59 g/mol. Its IUPAC name is 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one
PubChem CID140762421
Molecular FormulaC28H31N5O3
Molecular Weight485.59 g/mol
Exact Mass485.24
IUPAC Name6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one
SMILESCc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2COCCN2)c1
InChIInChI=1S/C28H31N5O3/c1-18-9-19(2)11-20(10-18)24-13-30-27-26(25(24)15-32(3)14-21-16-36-8-7-29-21)28(35)33(17-31-27)22-5-4-6-23(34)12-22/h4-6,9-13,17,21,29,34H,7-8,14-16H2,1-3H3
InChIKeyXZHSBLYPWZIMLY-UHFFFAOYSA-N
XLogP3.19
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(3-chloro-5-methylphenyl)-3-(3-fluoro-5-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124168080
6-(3,5-dimethylphenyl)-3-[3-hydroxy-5-(trifluoromethyl)phenyl]-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 162645609
5-[[2-Aminoethyl(methyl)amino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 124167759
6-(3-chloro-5-methylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124167875
5-[[2-Aminoethyl(ethyl)amino]methyl]-6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)pyrido[2,3-d]pyrimidin-4-one
CID 124168074
6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124168075
6-(3,5-Dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(piperidin-2-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 124168105
6-(3,5-dimethylphenyl)-3-(3-fluoro-5-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762295
6-(3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762327
6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl-[[(2R)-piperidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762341
6-(3,5-dimethylphenyl)-3-(3-hydroxy-5-methylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762343
6-[3-chloro-5-(hydroxymethyl)phenyl]-3-(3-hydroxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762358

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one (CID 140762421) is 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one is Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)CC2COCCN2)c1.
What is the InChIKey of 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is XZHSBLYPWZIMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3/c1-18-9-19(2)11-20(10-18)24-13-30-27-26(25(24)15-32(3)14-21-16-36-8-7-29-21)28(35)33(17-31-27)22-5-4-6-23(34)12-22/h4-6,9-13,17,21,29,34H,7-8,14-16H2,1-3H3.
What are the key properties of 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one?
6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 485.59 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylphenyl)-3-(3-hydroxyphenyl)-5-[[methyl(morpholin-3-ylmethyl)amino]methyl]pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 140762421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).