4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

C23H27N5O — CID 72793111

IUPAC4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NCCc3ccccc3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C23H27N5O/c29-19-11-9-18(10-12-19)27-22-20(21-8-4-5-14-24-21)16-26-23(28-22)25-15-13-17-6-2-1-3-7-17/h1-8,14,16,18-19,29H,9-13,15H2,(H2,25,26,27,28)
InChIKeyMXSXJVUUCUTMAN-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.91
Rot. Bonds7

About 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793111) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793111
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(NCCc3ccccc3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C23H27N5O/c29-19-11-9-18(10-12-19)27-22-20(21-8-4-5-14-24-21)16-26-23(28-22)25-15-13-17-6-2-1-3-7-17/h1-8,14,16,18-19,29H,9-13,15H2,(H2,25,26,27,28)
InChIKeyMXSXJVUUCUTMAN-UHFFFAOYSA-N
XLogP3.91
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793111) is 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(NCCc3ccccc3)ncc2-c2ccccn2)CC1.
What is the InChIKey of 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is MXSXJVUUCUTMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-19-11-9-18(10-12-19)27-22-20(21-8-4-5-14-24-21)16-26-23(28-22)25-15-13-17-6-2-1-3-7-17/h1-8,14,16,18-19,29H,9-13,15H2,(H2,25,26,27,28).
What are the key properties of 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 389.50 g/mol, XLogP of 3.91, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-phenylethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).