N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine

C24H32N6O4 — CID 58085758

IUPACN-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
SMILESCOc1ccc2c(c1)/C(=N/Nc1cc(N3CCOCC3)nc(OCCN3CCOCC3)n1)CC2
InChIInChI=1S/C24H32N6O4/c1-31-19-4-2-18-3-5-21(20(18)16-19)27-28-22-17-23(30-9-13-33-14-10-30)26-24(25-22)34-15-8-29-6-11-32-12-7-29/h2,4,16-17H,3,5-15H2,1H3,(H,25,26,28)/b27-21+
InChIKeyNNQZDYXWRUIJCG-SZXQPVLSSA-N
MW468.56 g/mol
LogP1.80
Rot. Bonds8

About N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine

N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine (PubChem CID 58085758) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
PubChem CID58085758
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC NameN-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
SMILESCOc1ccc2c(c1)/C(=N/Nc1cc(N3CCOCC3)nc(OCCN3CCOCC3)n1)CC2
InChIInChI=1S/C24H32N6O4/c1-31-19-4-2-18-3-5-21(20(18)16-19)27-28-22-17-23(30-9-13-33-14-10-30)26-24(25-22)34-15-8-29-6-11-32-12-7-29/h2,4,16-17H,3,5-15H2,1H3,(H,25,26,28)/b27-21+
InChIKeyNNQZDYXWRUIJCG-SZXQPVLSSA-N
XLogP1.80
TPSA93.57 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
ethane;6-N-[(E)-(7-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333391
(5E)-5-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-1-ol
CID 58085757
N-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
CID 143450308
(3E)-3-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-1-benzofuran-6-ol
CID 135401554
N-(6,7-dihydro-5H-2,1,3-benzoxadiazol-4-ylideneamino)-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 76663245
ethane;6-N-[(E)-(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyrimidine-4,6-diamine
CID 143333478
(5E)-5-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-2-ol
CID 136638391
2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol
CID 58085764
ethane;2-(2-morpholin-4-ylethoxy)-N-[(E)-[(2S)-2-pentylcyclohexylidene]amino]-6-piperidin-1-ylpyrimidin-4-amine
CID 143341665
(1E)-1-[[6-(dipropylamino)-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-2,3-dihydroinden-4-ol;ethane
CID 143341593
[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]methanamine
CID 58531807

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
The IUPAC name of N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine (CID 58085758) is N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine.
What is the SMILES notation for N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
The canonical SMILES for N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine is COc1ccc2c(c1)/C(=N/Nc1cc(N3CCOCC3)nc(OCCN3CCOCC3)n1)CC2.
What is the InChIKey of N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
The InChIKey is NNQZDYXWRUIJCG-SZXQPVLSSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-31-19-4-2-18-3-5-21(20(18)16-19)27-28-22-17-23(30-9-13-33-14-10-30)26-24(25-22)34-15-8-29-6-11-32-12-7-29/h2,4,16-17H,3,5-15H2,1H3,(H,25,26,28)/b27-21+.
What are the key properties of N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine?
N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine has a molecular weight of 468.56 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(6-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine is sourced from PubChem (CID 58085758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).