[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane

C21H28N4O — CID 143687462

IUPAC[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane
SMILESCC.OCc1cccc2c1ccn2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C19H22N4O.C2H6/c24-13-14-5-4-8-17-16(14)10-12-23(17)18-9-11-20-19(22-18)21-15-6-2-1-3-7-15;1-2/h4-5,8-12,15,24H,1-3,6-7,13H2,(H,20,21,22);1-2H3
InChIKeyVQGZIPLOEJSZFV-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.68
Rot. Bonds4

About [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane

[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane (PubChem CID 143687462) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane.

Molecular Properties

Compound Name[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane
PubChem CID143687462
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane
SMILESCC.OCc1cccc2c1ccn2-c1ccnc(NC2CCCCC2)n1
InChIInChI=1S/C19H22N4O.C2H6/c24-13-14-5-4-8-17-16(14)10-12-23(17)18-9-11-20-19(22-18)21-15-6-2-1-3-7-15;1-2/h4-5,8-12,15,24H,1-3,6-7,13H2,(H,20,21,22);1-2H3
InChIKeyVQGZIPLOEJSZFV-UHFFFAOYSA-N
XLogP4.68
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane?
The IUPAC name of [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane (CID 143687462) is [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane.
What is the SMILES notation for [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane?
The canonical SMILES for [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane is CC.OCc1cccc2c1ccn2-c1ccnc(NC2CCCCC2)n1.
What is the InChIKey of [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane?
The InChIKey is VQGZIPLOEJSZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O.C2H6/c24-13-14-5-4-8-17-16(14)10-12-23(17)18-9-11-20-19(22-18)21-15-6-2-1-3-7-15;1-2/h4-5,8-12,15,24H,1-3,6-7,13H2,(H,20,21,22);1-2H3.
What are the key properties of [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane?
[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane has a molecular weight of 352.48 g/mol, XLogP of 4.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]methanol;ethane is sourced from PubChem (CID 143687462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).