2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol

C23H31N5O2 — CID 58085764

IUPAC2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol
SMILESCc1ccc2c(c1)/C(=N/Nc1cc(N3CCOCC3)nc(CCC(C)(C)O)n1)CC2
InChIInChI=1S/C23H31N5O2/c1-16-4-5-17-6-7-19(18(17)14-16)26-27-21-15-22(28-10-12-30-13-11-28)25-20(24-21)8-9-23(2,3)29/h4-5,14-15,29H,6-13H2,1-3H3,(H,24,25,27)/b26-19+
InChIKeyZSBIXFPILAGDER-LGUFXXKBSA-N
MW409.53 g/mol
LogP3.09
Rot. Bonds6

About 2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol

2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol (PubChem CID 58085764) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol
PubChem CID58085764
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol
SMILESCc1ccc2c(c1)/C(=N/Nc1cc(N3CCOCC3)nc(CCC(C)(C)O)n1)CC2
InChIInChI=1S/C23H31N5O2/c1-16-4-5-17-6-7-19(18(17)14-16)26-27-21-15-22(28-10-12-30-13-11-28)25-20(24-21)8-9-23(2,3)29/h4-5,14-15,29H,6-13H2,1-3H3,(H,24,25,27)/b26-19+
InChIKeyZSBIXFPILAGDER-LGUFXXKBSA-N
XLogP3.09
TPSA82.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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-[(E)-(6-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(2-morpholin-4-ylethoxy)-6-piperidin-1-ylpyrimidin-4-amine
CID 143450308
3-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]-1-pyridin-2-ylpropan-1-ol
CID 11293401
N-[[4-[(2E)-2-(2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]methyl]-2-[[(2E,5Z)-octa-2,5,7-trien-3-yl]amino]prop-2-enamide;ethane
CID 143166665
N-[(5-fluoro-2,3-dihydroinden-1-ylidene)amino]-6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-amine
CID 73203161
2-methyl-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-6-morpholin-4-ylpyrimidin-4-amine
CID 5368217
(5E)-5-[[6-morpholin-4-yl-2-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]hydrazinylidene]-7,8-dihydro-6H-naphthalen-1-ol
CID 58085757
2-ethyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80933335
[2-methyl-1-[4-[(2E)-2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]propan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 11685457
[2-methyl-1-[4-[2-[(3-methylphenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]propan-2-yl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 66841104
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 122319042
2-(aminomethyl)-N-benzyl-6-morpholin-4-ylpyrimidin-4-amine
CID 71454917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol?
The IUPAC name of 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) is 2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol is Cc1ccc2c(c1)/C(=N/Nc1cc(N3CCOCC3)nc(CCC(C)(C)O)n1)CC2.
What is the InChIKey of 2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol?
The InChIKey is ZSBIXFPILAGDER-LGUFXXKBSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-16-4-5-17-6-7-19(18(17)14-16)26-27-21-15-22(28-10-12-30-13-11-28)25-20(24-21)8-9-23(2,3)29/h4-5,14-15,29H,6-13H2,1-3H3,(H,24,25,27)/b26-19+.
What are the key properties of 2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol?
2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol has a molecular weight of 409.53 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[(2E)-2-(6-methyl-2,3-dihydroinden-1-ylidene)hydrazinyl]-6-morpholin-4-ylpyrimidin-2-yl]butan-2-ol is sourced from PubChem (CID 58085764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).