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

C20H27N5O — CID 72793108

IUPAC4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(N3CCCCC3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C20H27N5O/c26-16-9-7-15(8-10-16)23-19-17(18-6-2-3-11-21-18)14-22-20(24-19)25-12-4-1-5-13-25/h2-3,6,11,14-16,26H,1,4-5,7-10,12-13H2,(H,22,23,24)
InChIKeyBXVCQFJVWUUMKU-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.24
Rot. Bonds4

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

4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (PubChem CID 72793108) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
PubChem CID72793108
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(N3CCCCC3)ncc2-c2ccccn2)CC1
InChIInChI=1S/C20H27N5O/c26-16-9-7-15(8-10-16)23-19-17(18-6-2-3-11-21-18)14-22-20(24-19)25-12-4-1-5-13-25/h2-3,6,11,14-16,26H,1,4-5,7-10,12-13H2,(H,22,23,24)
InChIKeyBXVCQFJVWUUMKU-UHFFFAOYSA-N
XLogP3.24
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol (CID 72793108) is 4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is OC1CCC(Nc2nc(N3CCCCC3)ncc2-c2ccccn2)CC1.
What is the InChIKey of 4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
The InChIKey is BXVCQFJVWUUMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-16-9-7-15(8-10-16)23-19-17(18-6-2-3-11-21-18)14-22-20(24-19)25-12-4-1-5-13-25/h2-3,6,11,14-16,26H,1,4-5,7-10,12-13H2,(H,22,23,24).
What are the key properties of 4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol?
4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol has a molecular weight of 353.47 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-piperidin-1-yl-5-pyridin-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 72793108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).