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

C17H23N5O2 — CID 72793177

IUPAC4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C17H23N5O2/c23-10-9-19-17-20-11-14(15-3-1-2-8-18-15)16(22-17)21-12-4-6-13(24)7-5-12/h1-3,8,11-13,23-24H,4-7,9-10H2,(H2,19,20,21,22)
InChIKeyCTKKZYMHCDCJTB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.66
Rot. Bonds6

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

4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 72793177) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID72793177
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1
InChIInChI=1S/C17H23N5O2/c23-10-9-19-17-20-11-14(15-3-1-2-8-18-15)16(22-17)21-12-4-6-13(24)7-5-12/h1-3,8,11-13,23-24H,4-7,9-10H2,(H2,19,20,21,22)
InChIKeyCTKKZYMHCDCJTB-UHFFFAOYSA-N
XLogP1.66
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol (CID 72793177) is 4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is OCCNc1ncc(-c2ccccn2)c(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is CTKKZYMHCDCJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-10-9-19-17-20-11-14(15-3-1-2-8-18-15)16(22-17)21-12-4-6-13(24)7-5-12/h1-3,8,11-13,23-24H,4-7,9-10H2,(H2,19,20,21,22).
What are the key properties of 4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 329.40 g/mol, XLogP of 1.66, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-hydroxyethylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 72793177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).