6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine

C25H31N5O4 — CID 58234816

IUPAC6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine
SMILESCc1ccc2occ/c(=N\Cc3cc(N4CCOCC4)nc(OCCN4CCOCC4)n3)c2c1
InChIInChI=1S/C25H31N5O4/c1-19-2-3-23-21(16-19)22(4-10-33-23)26-18-20-17-24(30-8-13-32-14-9-30)28-25(27-20)34-15-7-29-5-11-31-12-6-29/h2-4,10,16-17H,5-9,11-15,18H2,1H3/b26-22+
InChIKeyCPSHAXKJFHJHTG-XTCLZLMSSA-N
MW465.55 g/mol
LogP2.18
Rot. Bonds7

About 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine

6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine (PubChem CID 58234816) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine.

Molecular Properties

Compound Name6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine
PubChem CID58234816
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine
SMILESCc1ccc2occ/c(=N\Cc3cc(N4CCOCC4)nc(OCCN4CCOCC4)n3)c2c1
InChIInChI=1S/C25H31N5O4/c1-19-2-3-23-21(16-19)22(4-10-33-23)26-18-20-17-24(30-8-13-32-14-9-30)28-25(27-20)34-15-7-29-5-11-31-12-6-29/h2-4,10,16-17H,5-9,11-15,18H2,1H3/b26-22+
InChIKeyCPSHAXKJFHJHTG-XTCLZLMSSA-N
XLogP2.18
TPSA85.45 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine with MolForge

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Related Compounds

5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one
CID 58531811
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807
1-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-2,3-dihydroinden-4-ol
CID 58234827
(3,4-dimethylphenyl)-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 91029551
N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
CID 143450308
1H-indol-3-yl-[[6-morpholin-4-yl-2-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]methyl]diazene
CID 136660451
N-[(3-methylphenyl)methylideneamino]-2-(2-morpholin-4-ylethoxy)-6-(1,3-thiazolidin-3-yl)pyrimidin-4-amine
CID 66683532
N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58085758
(3E)-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-1-benzofuran-6-ol
CID 135401554
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
N-[(E)-(3-methylphenyl)methylideneamino]-6-morpholin-4-yl-4-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 59673900
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine?
The IUPAC name of 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine (CID 58234816) is 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine.
What is the SMILES notation for 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine?
The canonical SMILES for 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine is Cc1ccc2occ/c(=N\Cc3cc(N4CCOCC4)nc(OCCN4CCOCC4)n3)c2c1.
What is the InChIKey of 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine?
The InChIKey is CPSHAXKJFHJHTG-XTCLZLMSSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-19-2-3-23-21(16-19)22(4-10-33-23)26-18-20-17-24(30-8-13-32-14-9-30)28-25(27-20)34-15-7-29-5-11-31-12-6-29/h2-4,10,16-17H,5-9,11-15,18H2,1H3/b26-22+.
What are the key properties of 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine?
6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine has a molecular weight of 465.55 g/mol, XLogP of 2.18, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine is sourced from PubChem (CID 58234816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).