2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol

C18H21N7O2 — CID 44590191

IUPAC2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C18H21N7O2/c26-10-9-20-15-14(17-25-24-16(27-17)13-1-2-13)11-22-18(23-15)21-8-5-12-3-6-19-7-4-12/h3-4,6-7,11,13,26H,1-2,5,8-10H2,(H2,20,21,22,23)
InChIKeyCCGWJFXOILDJSD-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.86
Rot. Bonds9

About 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol

2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol (PubChem CID 44590191) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol
PubChem CID44590191
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C18H21N7O2/c26-10-9-20-15-14(17-25-24-16(27-17)13-1-2-13)11-22-18(23-15)21-8-5-12-3-6-19-7-4-12/h3-4,6-7,11,13,26H,1-2,5,8-10H2,(H2,20,21,22,23)
InChIKeyCCGWJFXOILDJSD-UHFFFAOYSA-N
XLogP1.86
TPSA121.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol (CID 44590191) is 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol is OCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1.
What is the InChIKey of 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol?
The InChIKey is CCGWJFXOILDJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c26-10-9-20-15-14(17-25-24-16(27-17)13-1-2-13)11-22-18(23-15)21-8-5-12-3-6-19-7-4-12/h3-4,6-7,11,13,26H,1-2,5,8-10H2,(H2,20,21,22,23).
What are the key properties of 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol?
2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol has a molecular weight of 367.41 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-pyridin-4-ylethylamino)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 44590191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).