7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol

C23H25N3O3 — CID 166798181

IUPAC7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc(Nc2ncc(C(C)C)c(Oc3cccc4c3C(O)CC4)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-14(2)18-13-24-23(25-16-8-10-17(28-3)11-9-16)26-22(18)29-20-6-4-5-15-7-12-19(27)21(15)20/h4-6,8-11,13-14,19,27H,7,12H2,1-3H3,(H,24,25,26)
InChIKeyLRVPCFLFHRPBTC-UHFFFAOYSA-N
MW391.47 g/mol
LogP5.12
Rot. Bonds6

About 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol

7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol (PubChem CID 166798181) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol
PubChem CID166798181
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol
SMILESCOc1ccc(Nc2ncc(C(C)C)c(Oc3cccc4c3C(O)CC4)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-14(2)18-13-24-23(25-16-8-10-17(28-3)11-9-16)26-22(18)29-20-6-4-5-15-7-12-19(27)21(15)20/h4-6,8-11,13-14,19,27H,7,12H2,1-3H3,(H,24,25,26)
InChIKeyLRVPCFLFHRPBTC-UHFFFAOYSA-N
XLogP5.12
TPSA76.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

(16E)-11-(2-methoxyethoxy)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739432
(16E)-11-methoxy-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 16739742
11-Methoxy-14,20-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 73321222
11-Methoxy-14,19-dioxa-5,7,26-triazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(24),2(26),3,5,8(25),9,11,16,20,22-decaene
CID 73321223
2-(4-Methoxyanilino)-4-[(3-oxo-1,2-dihydroinden-4-yl)oxy]pyrimidine-5-carbonitrile
CID 58522536
7-[2-(4-Methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydroinden-1-one
CID 58522608
7-[5-Fluoro-2-(4-methoxyanilino)pyrimidin-4-yl]oxy-2,3-dihydroinden-1-one
CID 58522645
7-[5-Acetyl-2-(4-methoxyanilino)pyrimidin-4-yl]oxy-2,3-dihydroinden-1-one
CID 58522656
7-[2-(4-Methoxyanilino)pyrimidin-4-yl]oxy-2,3-dihydroinden-1-one
CID 58522694
7-[5-Fluoro-2-(4-hydroxyanilino)pyrimidin-4-yl]oxy-2,3-dihydroinden-1-one
CID 70886759
4-phenylmethoxy-N-(4-propoxyphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 140284343
4-phenylmethoxy-N-(4-propan-2-yloxyphenyl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 140284852

Frequently Asked Questions

What is the IUPAC name of 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol (CID 166798181) is 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol is COc1ccc(Nc2ncc(C(C)C)c(Oc3cccc4c3C(O)CC4)n2)cc1.
What is the InChIKey of 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol?
The InChIKey is LRVPCFLFHRPBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-14(2)18-13-24-23(25-16-8-10-17(28-3)11-9-16)26-22(18)29-20-6-4-5-15-7-12-19(27)21(15)20/h4-6,8-11,13-14,19,27H,7,12H2,1-3H3,(H,24,25,26).
What are the key properties of 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol?
7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol has a molecular weight of 391.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(4-methoxyanilino)-5-propan-2-ylpyrimidin-4-yl]oxy-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 166798181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).