4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C18H22N4O — CID 69309404

IUPAC4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C18H22N4O/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/h1-4,9,11,14-15,23H,5-8,10,12H2,(H,19,20,21)
InChIKeyGPOWPOIXOOBZKA-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.89
Rot. Bonds3

About 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 69309404) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID69309404
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nccc(N3CCc4ccccc43)n2)CC1
InChIInChI=1S/C18H22N4O/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/h1-4,9,11,14-15,23H,5-8,10,12H2,(H,19,20,21)
InChIKeyGPOWPOIXOOBZKA-UHFFFAOYSA-N
XLogP2.89
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 69309404) is 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nccc(N3CCc4ccccc43)n2)CC1.
What is the InChIKey of 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is GPOWPOIXOOBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/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/h1-4,9,11,14-15,23H,5-8,10,12H2,(H,19,20,21).
What are the key properties of 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2,3-dihydroindol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 69309404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).