2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol

C24H34N4O3 — CID 165385737

IUPAC2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(COc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)CC1
InChIInChI=1S/C24H34N4O3/c1-24(2,29)19-5-3-18(4-6-19)17-31-22-11-12-25-23(27-22)26-20-7-9-21(10-8-20)28-13-15-30-16-14-28/h7-12,18-19,29H,3-6,13-17H2,1-2H3,(H,25,26,27)
InChIKeyGJIXKJCUFOMFMC-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.01
Rot. Bonds7

About 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol

2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol (PubChem CID 165385737) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
PubChem CID165385737
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol
SMILESCC(C)(O)C1CCC(COc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)CC1
InChIInChI=1S/C24H34N4O3/c1-24(2,29)19-5-3-18(4-6-19)17-31-22-11-12-25-23(27-22)26-20-7-9-21(10-8-20)28-13-15-30-16-14-28/h7-12,18-19,29H,3-6,13-17H2,1-2H3,(H,25,26,27)
InChIKeyGJIXKJCUFOMFMC-UHFFFAOYSA-N
XLogP4.01
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol with MolForge

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Related Compounds

5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidin-2-amine
CID 175805445
4-methyl-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 123331778
5-fluoro-4-[[4-(methylamino)cyclohexyl]methoxy]-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385739
4-[[4-(aminomethyl)cyclohexyl]methoxy]-5-methoxy-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 165385710
2-cyclopropyl-1-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]ethanone
CID 157060692
2-(2-hydroxy-2-methylpropoxy)-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzonitrile
CID 67115632
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
5-fluoro-N-(4-morpholin-4-ylphenyl)-4-[[1-(1,1,1-trifluoropropan-2-ylamino)piperidin-4-yl]methoxy]pyrimidin-2-amine
CID 167346795
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenoxypyrimidin-2-amine
CID 172514967
4-N,4-N-diethyl-1-N-(4-morpholin-4-ylpyrimidin-2-yl)benzene-1,4-diamine
CID 112886496
N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
N-[4-[4-(oxan-4-yl)piperazin-1-yl]phenyl]pyrimidin-2-amine
CID 141441950

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol?
The IUPAC name of 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol (CID 165385737) is 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol.
What is the SMILES notation for 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol?
The canonical SMILES for 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol is CC(C)(O)C1CCC(COc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)CC1.
What is the InChIKey of 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol?
The InChIKey is GJIXKJCUFOMFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-24(2,29)19-5-3-18(4-6-19)17-31-22-11-12-25-23(27-22)26-20-7-9-21(10-8-20)28-13-15-30-16-14-28/h7-12,18-19,29H,3-6,13-17H2,1-2H3,(H,25,26,27).
What are the key properties of 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol?
2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol has a molecular weight of 426.56 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]oxymethyl]cyclohexyl]propan-2-ol is sourced from PubChem (CID 165385737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).