4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine

C28H34N4O — CID 71495144

IUPAC4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine
SMILESCc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCOC(C)(C)C3)c2C1
InChIInChI=1S/C28H34N4O/c1-19-9-6-7-12-24(19)31-14-13-23-22(17-31)27(32-15-16-33-28(4,5)18-32)30-26(29-23)25-20(2)10-8-11-21(25)3/h6-12H,13-18H2,1-5H3
InChIKeyIMIXWCPJRRJEPW-UHFFFAOYSA-N
MW442.61 g/mol
LogP5.25
Rot. Bonds3

About 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine

4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine (PubChem CID 71495144) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine
PubChem CID71495144
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine
SMILESCc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCOC(C)(C)C3)c2C1
InChIInChI=1S/C28H34N4O/c1-19-9-6-7-12-24(19)31-14-13-23-22(17-31)27(32-15-16-33-28(4,5)18-32)30-26(29-23)25-20(2)10-8-11-21(25)3/h6-12H,13-18H2,1-5H3
InChIKeyIMIXWCPJRRJEPW-UHFFFAOYSA-N
XLogP5.25
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine with MolForge

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Related Compounds

6-ethyl-5-[(2S)-1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 11963546
4-(4-Morpholinyl)-2-phenylquinazoline
CID 675225
(3,5-Dimethyl-adamantan-1-yl)-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 3304180
4-Phenanthridin-6-ylmorpholine
CID 823944
Diethyl-(2-morpholin-4-yl-quinazolin-4-yl)-amine
CID 6457762
4-Quinazolinamine, 2-(4-morpholinyl)-
CID 660065
2-morpholin-4-yl-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine
CID 1091839
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
6-Ethyl-5-[1-(3-methoxypropyl)-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 23628221
6-Ethyl-5-[1-(3-methoxypropyl)-2-phenyl-1,2,3,4-tetrahydroquinolin-7-yl]pyrimidine-2,4-diamine
CID 23647915
4-(2-(2-(6-(Pyrrolidin-1-yl)pyridin-2-yl)ethyl)quinazolin-4-yl)morpholine
CID 72706604
N-(2,4-dimethylphenyl)-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 697257

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine (CID 71495144) is 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine is Cc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCOC(C)(C)C3)c2C1.
What is the InChIKey of 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine?
The InChIKey is IMIXWCPJRRJEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O/c1-19-9-6-7-12-24(19)31-14-13-23-22(17-31)27(32-15-16-33-28(4,5)18-32)30-26(29-23)25-20(2)10-8-11-21(25)3/h6-12H,13-18H2,1-5H3.
What are the key properties of 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine?
4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine has a molecular weight of 442.61 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-dimethylphenyl)-6-(2-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2,2-dimethylmorpholine is sourced from PubChem (CID 71495144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).