[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol

C17H21N7O2 — CID 44589650

IUPAC[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CO)o1
InChIInChI=1S/C17H21N7O2/c1-2-6-19-15-13(16-24-23-14(11-25)26-16)10-21-17(22-15)20-9-5-12-3-7-18-8-4-12/h3-4,7-8,10,25H,2,5-6,9,11H2,1H3,(H2,19,20,21,22)
InChIKeyZWBOMUBFNYJDNN-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.89
Rot. Bonds9

About [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol

[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol (PubChem CID 44589650) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol.

Molecular Properties

Compound Name[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol
PubChem CID44589650
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol
SMILESCCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CO)o1
InChIInChI=1S/C17H21N7O2/c1-2-6-19-15-13(16-24-23-14(11-25)26-16)10-21-17(22-15)20-9-5-12-3-7-18-8-4-12/h3-4,7-8,10,25H,2,5-6,9,11H2,1H3,(H2,19,20,21,22)
InChIKeyZWBOMUBFNYJDNN-UHFFFAOYSA-N
XLogP1.89
TPSA121.88 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol?
The IUPAC name of [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol (CID 44589650) is [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol.
What is the SMILES notation for [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol?
The canonical SMILES for [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol is CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CO)o1.
What is the InChIKey of [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol?
The InChIKey is ZWBOMUBFNYJDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-2-6-19-15-13(16-24-23-14(11-25)26-16)10-21-17(22-15)20-9-5-12-3-7-18-8-4-12/h3-4,7-8,10,25H,2,5-6,9,11H2,1H3,(H2,19,20,21,22).
What are the key properties of [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol?
[5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol has a molecular weight of 355.40 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(propylamino)-2-(2-pyridin-4-ylethylamino)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]methanol is sourced from PubChem (CID 44589650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).