4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

C18H20N4O — CID 24957308

IUPAC4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-n3ccc4ccccc43)n2)CC1
InChIInChI=1S/C18H20N4O/c23-15-7-5-14(6-8-15)20-18-19-11-9-17(21-18)22-12-10-13-3-1-2-4-16(13)22/h1-4,9-12,14-15,23H,5-8H2,(H,19,20,21)
InChIKeyDXTHSIZXMXMTFL-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.14
Rot. Bonds3

About 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol

4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 24957308) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID24957308
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(-n3ccc4ccccc43)n2)CC1
InChIInChI=1S/C18H20N4O/c23-15-7-5-14(6-8-15)20-18-19-11-9-17(21-18)22-12-10-13-3-1-2-4-16(13)22/h1-4,9-12,14-15,23H,5-8H2,(H,19,20,21)
InChIKeyDXTHSIZXMXMTFL-UHFFFAOYSA-N
XLogP3.14
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol (CID 24957308) is 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(-n3ccc4ccccc43)n2)CC1.
What is the InChIKey of 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is DXTHSIZXMXMTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-15-7-5-14(6-8-15)20-18-19-11-9-17(21-18)22-12-10-13-3-1-2-4-16(13)22/h1-4,9-12,14-15,23H,5-8H2,(H,19,20,21).
What are the key properties of 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 308.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-indol-1-ylpyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 24957308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).