5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

C18H20N6O2 — CID 44589507

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESCCOc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C18H20N6O2/c1-2-25-16-14(17-24-23-15(26-17)13-3-4-13)11-21-18(22-16)20-10-7-12-5-8-19-9-6-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H,20,21,22)
InChIKeyNCLCRAHDLMNHHS-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.85
Rot. Bonds8

About 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (PubChem CID 44589507) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
PubChem CID44589507
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
SMILESCCOc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1
InChIInChI=1S/C18H20N6O2/c1-2-25-16-14(17-24-23-15(26-17)13-3-4-13)11-21-18(22-16)20-10-7-12-5-8-19-9-6-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H,20,21,22)
InChIKeyNCLCRAHDLMNHHS-UHFFFAOYSA-N
XLogP2.85
TPSA98.85 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine (CID 44589507) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is CCOc1nc(NCCc2ccncc2)ncc1-c1nnc(C2CC2)o1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is NCLCRAHDLMNHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-2-25-16-14(17-24-23-15(26-17)13-3-4-13)11-21-18(22-16)20-10-7-12-5-8-19-9-6-12/h5-6,8-9,11,13H,2-4,7,10H2,1H3,(H,20,21,22).
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 352.40 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-ethoxy-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 44589507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).