5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one

C25H31N5O4 — CID 58531811

IUPAC5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one
SMILESCc1ccc2c(c1)/C(=N/Cc1cc(N3CCOCC3)nc(OCCN3CCOCC3)n1)C(=O)C2
InChIInChI=1S/C25H31N5O4/c1-18-2-3-19-15-22(31)24(21(19)14-18)26-17-20-16-23(30-7-11-33-12-8-30)28-25(27-20)34-13-6-29-4-9-32-10-5-29/h2-3,14,16H,4-13,15,17H2,1H3/b26-24-
InChIKeyQYOFEVKBZPNVLM-LCUIJRPUSA-N
MW465.55 g/mol
LogP1.45
Rot. Bonds7

About 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one

5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one (PubChem CID 58531811) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one.

Molecular Properties

Compound Name5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one
PubChem CID58531811
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one
SMILESCc1ccc2c(c1)/C(=N/Cc1cc(N3CCOCC3)nc(OCCN3CCOCC3)n1)C(=O)C2
InChIInChI=1S/C25H31N5O4/c1-18-2-3-19-15-22(31)24(21(19)14-18)26-17-20-16-23(30-7-11-33-12-8-30)28-25(27-20)34-13-6-29-4-9-32-10-5-29/h2-3,14,16H,4-13,15,17H2,1H3/b26-24-
InChIKeyQYOFEVKBZPNVLM-LCUIJRPUSA-N
XLogP1.45
TPSA89.38 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 ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methyl]chromen-4-imine
CID 58234816
[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
N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 58085758
N-(2,3-dimethyl-1H-inden-5-yl)-2-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridine-4-carboxamide
CID 58060613
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
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
7-methyl-1-morpholin-4-yl-3-oxo-4H-naphthalene-2-carbonitrile
CID 163446076
1-(3-bromophenyl)-3-[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]urea
CID 59258726

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one?
The IUPAC name of 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one (CID 58531811) is 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one.
What is the SMILES notation for 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one?
The canonical SMILES for 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one is Cc1ccc2c(c1)/C(=N/Cc1cc(N3CCOCC3)nc(OCCN3CCOCC3)n1)C(=O)C2.
What is the InChIKey of 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one?
The InChIKey is QYOFEVKBZPNVLM-LCUIJRPUSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-18-2-3-19-15-22(31)24(21(19)14-18)26-17-20-16-23(30-7-11-33-12-8-30)28-25(27-20)34-13-6-29-4-9-32-10-5-29/h2-3,14,16H,4-13,15,17H2,1H3/b26-24-.
What are the key properties of 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one?
5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one has a molecular weight of 465.55 g/mol, XLogP of 1.45, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methylimino]-1H-inden-2-one is sourced from PubChem (CID 58531811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).